data_1mwn_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 1mwn _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.329 0.585 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 4' ' ' GLU . 98.1 mt-10 -60.97 -36.38 79.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 109.818 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.32 -23.79 0.64 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 108.735 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.3 tt0 -67.91 -59.24 3.44 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.827 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.67 ' NZ ' ' HZ1' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -70.1 -33.42 71.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.119 -0.988 . . . . 0.0 109.607 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.99 92.01 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.085 -1.009 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.7 ttm -60.6 -40.28 91.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.007 -1.058 . . . . 0.0 109.183 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.02 -40.49 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.76 87.08 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.404 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.89 -41.27 95.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.043 -1.036 . . . . 0.0 109.661 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -40.38 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.993 -1.067 . . . . 0.0 108.907 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.94 75.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.62 -35.83 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.22 -49.41 76.11 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.976 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.782 ' NE2' ' HE2' ' B' ' 85' ' ' HIS . 37.8 m170 -80.8 -22.59 39.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.08 -1.013 . . . . 0.0 111.156 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -59.62 -42.49 92.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.117 -0.989 . . . . 0.0 112.009 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.528 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 32.8 p90 -110.26 -30.98 7.48 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.86 -1.15 . . . . 0.0 111.038 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 56.7 p -62.09 -41.56 98.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.972 -1.08 . . . . 0.0 111.05 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -90.35 13.55 64.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' CD ' ' OE2' ' A' ' 34' ' ' GLU . 31.2 ttt-85 -68.81 -42.74 76.87 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.671 -1.488 . . . . 0.0 109.824 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -162.48 156.29 20.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.702 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.24 -151.83 35.39 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.75 116.05 21.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -1.065 . . . . 0.0 110.114 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -67.41 -26.39 66.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.543 -0.723 . . . . 0.0 109.971 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.55 -35.67 73.24 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.233 -0.917 . . . . 0.0 111.661 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -129.53 155.65 45.43 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.08 -1.013 . . . . 0.0 109.697 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -104.95 128.89 53.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.549 -0.72 . . . . 0.0 110.506 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' LYS . 31.9 ttpt -100.47 148.87 24.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.5 ptmt -40.65 -40.59 1.32 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.692 -0.63 . . . . 0.0 111.121 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.665 -1.272 . . . . 0.0 110.601 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.947 -1.096 . . . . 0.0 108.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.44 -37.95 89.27 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.388 -0.82 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.77 -40.02 72.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.753 -1.217 . . . . 0.0 107.738 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' ASN . 85.2 tt0 -66.53 -40.25 89.01 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.269 -0.972 . . . . 0.0 108.487 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.2 tm? -60.05 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.432 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.932 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 35.2 t30 -80.55 -23.11 40.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.754 -1.216 . . . . 0.0 111.675 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t30 -89.03 -27.31 20.93 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.836 -1.165 . . . . 0.0 111.329 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 19.4 mp0 -101.77 -24.93 13.99 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.87 -1.144 . . . . 0.0 108.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 45' ' ' GLU . 16.3 mt -123.64 46.65 2.18 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -43.63 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -122.66 14.63 10.17 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.477 -0.764 . . . . 0.0 109.949 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.6 m-85 -68.67 -39.95 80.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.001 -1.062 . . . . 0.0 110.055 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.48 -35.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.783 -1.198 . . . . 0.0 109.947 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' LEU . 90.9 mt-10 -119.51 117.5 28.58 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.299 -0.876 . . . . 0.0 110.153 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -107.75 121.82 45.49 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -103.78 122.61 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 122.298 1.047 . . . . 0.0 109.95 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.63 -13.28 1.73 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -124.51 157.86 34.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.492 -0.755 . . . . 0.0 110.392 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.54 -20.93 49.57 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.08 -41.11 91.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 110.102 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.39 -46.3 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.13 -44.73 98.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.136 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.12 -42.67 96.77 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.807 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -37.51 75.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.154 -0.966 . . . . 0.0 108.998 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.06 -35.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.706 -0.621 . . . . 0.0 109.467 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.7 mmm -70.22 -39.96 74.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.053 -1.029 . . . . 0.0 109.898 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.87 -27.55 66.78 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.401 -1.437 . . . . 0.0 107.27 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -72.57 -35.32 67.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.988 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.7 mt -103.57 -58.7 1.83 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.8 t0 -69.51 56.84 0.12 Allowed 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 95.7 mt-10 -66.54 6.18 0.49 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.608 0.718 . . . . 0.0 109.47 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.7 m-20 -93.62 -29.05 15.66 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.2 85.17 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 36.3 p-10 -79.46 1.65 24.81 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.42 31.33 71.2 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 107.908 -2.077 . . . . 0.0 107.908 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.7 mt-10 -143.39 155.65 44.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.548 -0.972 . . . . 0.0 110.057 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 2.8 t -132.7 126.73 33.22 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -84.99 170.05 13.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.016 -1.052 . . . . 0.0 109.565 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 14.1 p90 -54.77 -43.21 72.58 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.566 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -63.38 -40.74 98.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.62 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.33 -39.94 77.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 110.684 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -67.85 -37.57 82.02 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.5 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.58 -34.63 74.47 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 109.099 -179.027 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -29.74 68.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.146 -0.971 . . . . 0.0 110.117 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.76 -40.81 89.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.01 -1.056 . . . . 0.0 108.678 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.96 -43.07 91.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.443 -0.786 . . . . 0.0 108.947 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -60.15 -44.1 95.23 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.604 -0.685 . . . . 0.0 109.826 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.3 -45.3 95.04 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.097 -1.041 . . . . 0.0 109.449 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.4 -38.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.6 m -61.23 -40.15 92.94 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.9 m -67.57 -41.02 84.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.27 73.27 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.274 -0.891 . . . . 0.0 109.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -61.06 -40.24 92.92 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.156 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.787 ' HE2' ' NE2' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.28 -38.02 82.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.127 -0.983 . . . . 0.0 109.615 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.57 -31.01 65.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 108.7 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 4' ' ' GLU . 98.7 mt-10 -60.75 -35.37 76.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.9 -22.16 0.79 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.909 -1.119 . . . . 0.0 108.872 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.0 tt0 -68.83 -59.29 3.19 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.619 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.67 ' HZ1' ' NZ ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -70.01 -33.78 72.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 109.571 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.75 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.869 -1.145 . . . . 0.0 109.71 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 59.4 ttm -60.45 -40.43 91.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.05 -40.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.75 91.27 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.368 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.86 -41.14 97.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.912 -1.117 . . . . 0.0 109.602 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -40.52 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.897 -1.127 . . . . 0.0 108.88 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.02 -39.78 75.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.45 -36.61 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -56.64 -49.43 75.04 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 109.86 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.787 ' NE2' ' HE2' ' A' ' 85' ' ' HIS . 38.3 m170 -80.93 -22.23 39.84 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.898 -1.126 . . . . 0.0 111.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.08 -42.32 94.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 0.0 111.814 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 32.3 p90 -110.18 -31.01 7.49 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.927 -1.108 . . . . 0.0 111.116 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -61.73 -41.71 97.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.056 -1.028 . . . . 0.0 110.95 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.27 13.28 65.51 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.411 ' CD ' ' OE2' ' B' ' 34' ' ' GLU . 27.9 ttt-85 -69.16 -42.83 75.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.893 -1.357 . . . . 0.0 109.845 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -161.94 156.67 22.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.333 -0.854 . . . . 0.0 109.664 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.04 -151.36 35.12 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -82.3 115.56 21.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -1.085 . . . . 0.0 110.146 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -67.11 -26.29 66.63 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.432 -0.792 . . . . 0.0 110.116 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.58 -35.84 73.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 111.471 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -129.48 155.83 45.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.131 -0.981 . . . . 0.0 109.549 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.0 mt -105.15 128.28 53.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.635 -0.666 . . . . 0.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -99.37 149.04 23.56 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -40.79 -40.71 1.4 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.0 m -61.71 -43.52 98.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.518 -1.364 . . . . 0.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.13 -39.81 75.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.849 -1.157 . . . . 0.0 108.943 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -38.25 90.44 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.517 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.78 -39.88 71.85 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 38' ' ' ASN . 84.7 tt0 -66.74 -40.31 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.446 -0.901 . . . . 0.0 108.614 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 2.1 tm? -59.87 -49.98 75.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.351 -0.843 . . . . 0.0 109.254 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.72 -43.45 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -80.44 -23.48 40.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.855 -1.153 . . . . 0.0 111.619 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -88.64 -27.61 21.18 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.778 -1.201 . . . . 0.0 111.468 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 20.8 mp0 -101.99 -24.37 14.0 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.854 -1.154 . . . . 0.0 108.977 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' B' ' 45' ' ' GLU . 18.0 mt -124.41 46.64 2.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -44.05 -80.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.294 -0.879 . . . . 0.0 110.675 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -122.84 15.14 10.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.396 -0.815 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.449 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 88.2 m-85 -69.38 -40.17 77.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.784 -1.198 . . . . 0.0 109.939 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 -35.54 0.09 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.84 -1.163 . . . . 0.0 110.099 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 40' ' ' LEU . 91.5 mt-10 -119.51 117.28 27.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.497 -0.752 . . . . 0.0 110.354 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -107.21 122.1 45.85 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.73 122.45 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 122.294 1.045 . . . . 0.0 109.864 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.489 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.85 -12.55 1.71 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.81 157.77 35.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.519 -0.738 . . . . 0.0 110.354 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.8 -20.73 49.09 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -60.04 -41.47 92.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.572 -0.705 . . . . 0.0 110.048 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.88 -46.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.15 -44.85 99.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.132 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.01 -42.51 97.12 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.9 -1.12 . . . . 0.0 109.88 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.07 -37.52 75.49 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.203 -0.936 . . . . 0.0 108.901 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.1 t -68.13 -35.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 109.506 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -70.38 -39.94 74.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.059 -1.026 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.78 -27.79 66.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.418 -1.426 . . . . 0.0 107.201 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -72.4 -35.42 68.41 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.08 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 62' ' ' GLU . 11.2 mt -103.22 -58.69 1.83 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -69.42 56.8 0.12 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 60' ' ' LEU . 97.6 mt-10 -66.68 6.75 0.43 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.389 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.564 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.7 m-20 -93.94 -29.25 15.36 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.34 9.88 85.35 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.545 -1.822 . . . . 0.0 108.545 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.3 p-10 -79.79 2.25 23.71 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.548 -0.972 . . . . 0.0 108.493 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.93 30.97 72.25 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.8 mt-10 -142.89 155.5 44.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.56 -0.965 . . . . 0.0 110.067 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 2.0 t -132.49 126.97 34.2 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.45 169.92 13.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.504 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 14.0 p90 -54.53 -43.27 71.79 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.561 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.9 tt0 -63.23 -40.55 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.799 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.65 -39.83 76.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.975 -1.078 . . . . 0.0 110.502 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -67.79 -37.78 82.49 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.889 0.852 . . . . 0.0 109.162 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.506 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.9 -33.95 73.91 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.319 -0.863 . . . . 0.0 109.11 -178.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.52 -29.52 68.12 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.229 -0.919 . . . . 0.0 110.154 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.83 -40.67 89.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.959 -1.088 . . . . 0.0 108.682 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.88 -43.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.41 -0.806 . . . . 0.0 108.827 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -60.26 -44.21 95.49 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.641 -0.662 . . . . 0.0 109.939 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.55 -45.14 95.43 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.153 -1.019 . . . . 0.0 109.429 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.46 -37.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -61.57 -39.95 92.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.213 -0.929 . . . . 0.0 108.702 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 m -68.08 -40.64 82.62 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.178 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.72 73.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.281 -0.887 . . . . 0.0 109.743 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.31 -40.5 94.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.343 -0.848 . . . . 0.0 109.052 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.782 ' HE2' ' NE2' ' A' ' 15' ' ' HIS . 54.6 t-80 -60.11 -38.66 83.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -56.86 -31.55 64.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.133 -0.98 . . . . 0.0 109.135 179.694 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.813 0.34 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.29 -39.95 88.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.894 -1.128 . . . . 0.0 108.767 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.96 -40.52 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.785 . . . . 0.0 110.834 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 120.875 -1.141 . . . . 0.0 109.448 -179.563 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.798 0.332 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.956 -1.09 . . . . 0.0 108.897 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.403 HG21 HD11 ' Y' ' 10' ' ' ILE . 96.9 mt -70.29 -40.69 78.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.533 -0.729 . . . . 0.0 110.779 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.09 -39.27 85.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.899 -1.126 . . . . 0.0 109.374 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 43.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.468 -179.747 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.78 -39.89 91.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.14 -0.975 . . . . 0.0 108.838 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.84 -22.55 25.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.144 -0.973 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.417 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 49.0 tp10 -59.76 -52.69 64.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -74.29 -40.76 62.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.759 -1.213 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.35 97.35 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.078 -1.013 . . . . 0.0 110.288 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.1 ttm -60.3 -41.12 92.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.614 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.28 -40.15 82.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-O 122.012 0.911 . . . . 0.0 109.142 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.38 98.96 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.441 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.5 -40.05 95.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.38 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.894 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.69 -39.9 76.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.727 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.66 -36.02 58.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.99 -49.86 76.01 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.975 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 45.1 m80 -81.21 -24.13 37.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.054 -1.029 . . . . 0.0 111.533 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.96 -43.83 94.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.234 -0.916 . . . . 0.0 112.449 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 39.7 p90 -109.95 -30.07 7.97 Favored 'General case' 0 N--CA 1.514 2.734 0 O-C-N 120.802 -1.186 . . . . 0.0 110.879 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -59.75 -39.94 86.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.984 -1.072 . . . . 0.0 110.23 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.18 10.18 59.01 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 65.1 ttt180 -65.71 -42.09 91.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.754 -1.439 . . . . 0.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 20.4 pt-20 -161.6 165.17 28.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 109.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.9 -152.68 51.57 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.846 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.36 133.13 37.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.556 -0.967 . . . . 0.0 110.433 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.37 -39.92 77.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.83 -18.9 60.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.745 -0.597 . . . . 0.0 112.206 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 48.5 mttm -129.7 157.65 41.54 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.862 -1.149 . . . . 0.0 110.588 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.9 mt -117.51 138.96 51.54 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.929 -0.482 . . . . 0.0 109.811 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' GLU . 82.0 tttt -109.42 148.35 31.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ptmt -39.44 -38.53 0.57 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.495 -0.753 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.6 p -61.59 -42.68 99.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.091 -1.006 . . . . 0.0 109.643 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 81.5 mt-10 -69.57 -39.31 77.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.022 -1.049 . . . . 0.0 108.459 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.86 -40.01 93.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.84 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -54.36 -40.11 67.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ASN . 53.7 tp10 -69.84 -40.01 76.1 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.76 -51.8 68.19 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.407 -0.808 . . . . 0.0 110.247 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.26 -40.32 86.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.371 -0.831 . . . . 0.0 109.371 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OG ' ' A' ' 41' ' ' SER . 20.7 t30 -79.1 -22.74 44.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.876 -1.14 . . . . 0.0 110.189 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.33 -27.31 24.38 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 110.44 -179.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.9 -33.93 6.79 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.088 -1.007 . . . . 0.0 109.13 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -114.66 51.4 0.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 7.2 m -59.65 -62.15 2.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.115 -0.991 . . . . 0.0 109.831 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -129.63 -5.64 4.66 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 54.0 t80 -60.45 -40.79 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 0.0 109.168 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.9 mt -127.91 -98.83 0.37 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.469 -0.769 . . . . 0.0 109.343 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -93.6 141.54 28.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.39 -0.819 . . . . 0.0 109.412 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 87.9 tt0 -100.26 118.29 36.25 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 47' ' ' ILE . 34.1 mm -90.92 109.64 21.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-O 122.169 0.985 . . . . 0.0 109.762 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -13.63 8.1 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 43.5 mt-10 -122.15 144.51 48.9 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.564 0.697 . . . . 0.0 110.379 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.69 -20.37 63.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.06 -42.7 95.1 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.993 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' VAL . 9.5 t -61.2 -49.97 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.46 -43.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.994 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -62.92 -46.78 86.2 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 118.73 -1.188 . . . . 0.0 108.607 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -70.09 -37.91 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.59 0.709 . . . . 0.0 109.515 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' VAL . 40.8 t -77.08 -30.4 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.9 tpt -70.25 -40.37 74.44 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.64 -28.23 68.41 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 m -67.61 -27.29 66.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.747 -0.596 . . . . 0.0 109.443 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.97 -45.29 4.2 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' C ' ' H ' ' A' ' 63' ' ' ASP . 52.2 t0 -82.73 59.41 4.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.35 0.64 1.37 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -87.77 -33.33 18.7 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.15 12.97 82.66 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.6 p-10 -82.88 7.33 15.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.93 38.35 92.79 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 76.2 tt0 -146.79 152.47 38.83 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.3 -1.118 . . . . 0.0 111.001 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 t -132.03 110.95 11.09 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.93 166.18 22.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.854 -1.154 . . . . 0.0 110.051 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 26.3 p90 -52.65 -41.35 63.71 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.48 -0.763 . . . . 0.0 109.158 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 66.3 tt0 -63.25 -41.21 99.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -70.34 -40.15 74.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.174 -0.954 . . . . 0.0 110.287 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -65.44 -38.79 90.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 108.699 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.91 -32.55 70.86 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.413 -0.804 . . . . 0.0 109.03 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.47 -29.72 67.46 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.978 -1.076 . . . . 0.0 109.787 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.7 -42.61 84.05 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.8 OUTLIER -60.1 -44.41 95.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 16.3 p -60.54 -44.79 95.71 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.4 ttp -61.27 -47.07 87.72 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.325 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 t -78.81 -28.63 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.845 -1.159 . . . . 0.0 109.472 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 97.0 m -64.85 -40.16 94.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.965 -1.084 . . . . 0.0 108.973 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 p -66.54 -39.42 88.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.677 -0.64 . . . . 0.0 110.079 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.51 90.14 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.692 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.64 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.043 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.598 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 13.7 t-80 -63.18 -39.49 94.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.298 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.518 -0.739 . . . . 0.0 109.578 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--N 1.297 -1.704 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.574 179.514 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.18 -39.91 90.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.967 -1.083 . . . . 0.0 108.898 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.7 -22.3 22.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 48.7 tp10 -59.96 -52.92 63.33 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.832 -1.168 . . . . 0.0 110.221 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -74.09 -39.99 63.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.769 -1.207 . . . . 0.0 110.594 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.16 95.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.091 -1.005 . . . . 0.0 110.161 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.18 -40.95 91.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.595 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.45 -40.04 82.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.009 0.909 . . . . 0.0 109.042 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.77 98.32 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.473 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.77 -40.39 95.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.0 110.401 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -40.19 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.071 -1.018 . . . . 0.0 108.808 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -70.08 -40.01 75.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.94 -1.1 . . . . 0.0 109.672 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 t -58.61 -36.2 58.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.65 -50.02 75.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 110.119 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.598 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 44.6 m80 -80.98 -23.87 38.43 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.985 -1.072 . . . . 0.0 111.3 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.94 -43.53 94.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 112.543 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.444 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.4 p90 -110.55 -29.94 7.84 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 120.921 -1.112 . . . . 0.0 110.846 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -59.86 -40.12 87.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.984 -1.072 . . . . 0.0 110.185 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.65 10.22 60.15 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.844 -1.169 . . . . 0.0 110.188 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.57 -41.67 92.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.856 -1.379 . . . . 0.0 109.627 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.474 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.8 pt-20 -161.57 164.44 29.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.263 -0.898 . . . . 0.0 109.476 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.83 -152.19 50.07 Favored Glycine 0 N--CA 1.492 2.375 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.957 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.79 132.58 36.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.907 . . . . 0.0 110.36 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.88 -39.92 79.52 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.996 0.903 . . . . 0.0 108.82 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -73.93 -19.4 60.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.878 -0.514 . . . . 0.0 112.102 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -129.34 157.73 41.1 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.925 -1.109 . . . . 0.0 110.621 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.93 139.24 50.88 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.713 -0.617 . . . . 0.0 109.72 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 29' ' ' LYS . 81.7 tttt -109.55 148.39 31.32 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.4 ptmt -39.81 -38.41 0.66 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.3 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.468 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 84.1 mt-10 -69.63 -39.22 77.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.074 -1.016 . . . . 0.0 108.553 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.0 -39.7 93.15 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.384 -0.822 . . . . 0.0 109.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -54.59 -40.05 68.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.032 . . . . 0.0 108.28 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 38' ' ' ASN . 53.6 tp10 -70.15 -39.74 75.16 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.75 -51.75 68.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.306 -0.871 . . . . 0.0 110.078 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.08 -41.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.511 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' OG ' ' B' ' 41' ' ' SER . 18.5 t30 -78.62 -22.11 47.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.982 -1.074 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.38 -27.57 24.14 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.883 -1.136 . . . . 0.0 110.335 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -108.7 -34.21 6.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.936 -1.103 . . . . 0.0 109.458 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.6 mt -114.69 52.08 0.86 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 10.6 m -60.31 -62.3 1.97 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.079 -1.013 . . . . 0.0 109.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -129.55 -5.65 4.71 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.417 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 52.0 t80 -60.15 -41.17 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -128.0 -98.19 0.38 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.438 -0.789 . . . . 0.0 109.224 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -93.8 141.31 28.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.443 -0.786 . . . . 0.0 109.36 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 88.5 tt0 -100.58 117.87 35.58 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.421 HG23 HD13 ' B' ' 47' ' ' ILE . 34.9 mm -90.41 109.33 20.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-O 122.151 0.977 . . . . 0.0 109.778 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 -13.23 8.28 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.22 144.21 49.11 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.667 0.746 . . . . 0.0 110.369 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.39 -20.51 63.81 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.43 -42.34 95.84 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.79 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' B' ' 56' ' ' VAL . 10.5 t -61.45 -50.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.9 t -60.22 -43.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.121 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -62.26 -47.37 84.64 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.517 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -70.05 -37.37 75.51 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.411 0.624 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' B' ' 52' ' ' VAL . 38.9 t -77.58 -30.52 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.8 tpt -69.93 -40.78 75.31 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.55 -27.89 68.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -27.31 66.54 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.519 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.98 -45.21 4.22 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' B' ' 63' ' ' ASP . 51.2 t0 -82.59 59.04 4.48 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.02 0.73 1.13 Allowed 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' B' ' 61' ' ' ASP . 86.8 m-20 -88.27 -33.05 18.2 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.1 12.43 83.3 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 47.2 p-10 -81.98 6.9 14.61 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.53 37.83 90.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 76.6 tt0 -146.7 152.32 38.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -1.156 . . . . 0.0 111.239 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -131.33 111.72 12.12 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.61 165.2 23.16 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.94 -1.1 . . . . 0.0 109.992 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.1 p90 -51.62 -42.02 61.7 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 109.123 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 66.6 tt0 -62.9 -41.31 99.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.256 -0.903 . . . . 0.0 108.984 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.26 -40.04 74.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.965 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 0.7 OUTLIER -65.49 -38.47 89.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.939 -1.101 . . . . 0.0 108.748 179.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.2 tpt -60.05 -32.68 71.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.447 -0.783 . . . . 0.0 108.983 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.53 -29.71 67.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.982 -1.074 . . . . 0.0 109.864 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.8 -42.21 83.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.0 OUTLIER -60.13 -44.92 96.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -60.29 -44.75 95.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 ttp -60.93 -46.98 88.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.555 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 t -78.83 -28.87 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.923 -1.111 . . . . 0.0 109.574 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.4 m -64.79 -39.95 94.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.068 -1.02 . . . . 0.0 108.978 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.4 p -66.92 -39.17 87.29 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.567 -0.708 . . . . 0.0 110.008 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.72 90.41 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.428 -0.795 . . . . 0.0 109.571 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.66 -44.49 96.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.028 -1.045 . . . . 0.0 109.083 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.642 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 12.7 t-80 -61.61 -39.82 92.61 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.611 0.719 . . . . 0.0 109.279 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.93 -39.69 86.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.646 -0.659 . . . . 0.0 109.892 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.297 -1.717 0 C-N-CA 118.914 -1.114 . . . . 0.0 108.585 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.32 -37.34 83.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.469 -0.769 . . . . 0.0 109.104 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -45.99 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.955 . . . . 0.0 110.103 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.302 -1.491 0 O-C-N 120.772 -1.205 . . . . 0.0 108.669 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.8 -37.67 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.55 -46.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -39.7 87.43 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.839 -1.163 . . . . 0.0 108.665 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.338 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.16 -39.92 86.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.6 -25.02 1.53 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.891 -1.13 . . . . 0.0 108.658 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.28 -49.72 76.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 109.638 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 19.4 pttt -69.98 -29.99 67.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 109.591 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -77.87 -39.97 41.6 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.445 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtp -60.0 -43.08 95.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.601 -1.312 . . . . 0.0 110.073 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 m -60.76 -39.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.945 -1.097 . . . . 0.0 108.447 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.34 93.4 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.588 -0.695 . . . . 0.0 109.795 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.94 -45.21 93.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.66 -40.0 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.269 -0.894 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.88 -40.01 72.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.02 -1.05 . . . . 0.0 110.16 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.04 -35.16 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.65 -50.03 74.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.182 -0.949 . . . . 0.0 110.297 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.11 -23.15 48.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.131 -0.981 . . . . 0.0 110.836 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.173 -0.955 . . . . 0.0 111.714 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -108.12 -31.4 7.94 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.839 -1.163 . . . . 0.0 110.964 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -61.82 -40.01 93.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.107 -0.995 . . . . 0.0 111.572 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.84 6.45 62.14 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.957 -1.089 . . . . 0.0 111.697 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -69.92 -40.09 75.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.391 -1.652 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 15.2 pt-20 -156.44 160.0 39.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.925 -1.109 . . . . 0.0 109.789 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.12 -167.48 39.28 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.46 136.43 34.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -1.17 . . . . 0.0 109.346 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -74.32 -10.75 59.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.278 -0.889 . . . . 0.0 109.449 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.99 -30.31 62.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.326 -0.859 . . . . 0.0 109.208 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -129.5 158.94 37.83 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.594 -0.691 . . . . 0.0 109.794 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.2 mt -120.41 127.92 52.72 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.783 -0.573 . . . . 0.0 109.841 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 29' ' ' LYS . 57.7 tttp -99.32 160.1 14.52 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' LYS . 81.5 mttt -39.96 -44.43 1.7 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.675 -0.64 . . . . 0.0 110.573 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -60.09 -42.46 94.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.029 . . . . 0.0 110.811 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 80.5 mt-10 -69.98 -39.99 75.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.703 -1.248 . . . . 0.0 109.271 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.32 -38.84 91.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.024 -1.048 . . . . 0.0 108.562 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -57.3 -39.98 76.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 51.6 tp10 -68.61 -40.06 80.58 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.99 -50.49 73.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 109.993 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.527 -0.733 . . . . 0.0 109.893 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.94 -24.27 44.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.918 -1.114 . . . . 0.0 110.72 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -86.51 -45.94 10.63 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.99 -42.76 18.92 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.894 -1.128 . . . . 0.0 108.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -108.92 67.26 0.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -74.25 -68.13 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.046 . . . . 0.0 109.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.77 -19.52 6.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.585 -0.697 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.07 -40.02 88.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 108.707 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.02 -153.66 0.58 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -49.19 133.31 19.2 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.17 -0.956 . . . . 0.0 109.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -102.54 141.44 35.35 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 47' ' ' ILE . 42.4 mm -114.12 114.62 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.527 0.68 . . . . 0.0 110.246 -177.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -11.59 8.23 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -122.91 152.03 41.2 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.0 pt20 -74.38 -21.48 59.64 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -43.81 94.93 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.8 t -60.41 -49.5 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 t -60.95 -41.49 89.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.502 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.2 t0 -68.8 -42.25 77.56 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.204 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.62 -39.19 77.33 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.03 -35.89 66.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 42.3 mmm -70.99 -39.98 72.13 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.25 -30.5 69.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 50.6 m -67.19 -39.95 86.45 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.974 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -105.87 -53.38 2.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.226 -0.921 . . . . 0.0 108.902 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -81.18 56.45 2.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.79 2.09 2.82 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.6 m-20 -74.61 -35.69 62.96 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 11.28 84.48 Favored Glycine 0 N--CA 1.482 1.744 0 N-CA-C 106.587 -2.605 . . . . 0.0 106.587 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -75.56 0.95 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.17 30.89 77.7 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 107.902 -2.079 . . . . 0.0 107.902 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.74 149.64 35.91 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.477 -1.013 . . . . 0.0 111.462 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.78 119.04 21.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 36.8 t0 -80.46 170.0 16.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.481 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 19.2 p90 -57.93 -39.39 77.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.134 -0.978 . . . . 0.0 108.413 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.1 tp-100 -60.04 -40.01 87.88 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.123 -0.985 . . . . 0.0 108.441 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.25 -39.39 92.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.005 -1.059 . . . . 0.0 108.99 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 109.078 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.0 mmt -59.66 -38.81 82.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.28 -0.888 . . . . 0.0 109.446 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.1 68.44 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.933 -1.104 . . . . 0.0 110.435 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -59.94 -43.46 94.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.787 -1.196 . . . . 0.0 108.727 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.02 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.39 -40.12 89.74 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.304 0.574 . . . . 0.0 109.553 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtm -64.52 -45.61 86.45 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.55 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.16 -30.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.6 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.9 m -69.7 -38.42 76.95 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.474 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -75.26 -41.33 57.61 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.925 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.1 96.95 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.077 -1.014 . . . . 0.0 109.923 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 26.7 m -67.45 -40.48 85.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.162 -0.962 . . . . 0.0 109.242 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -62.57 -40.05 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.406 -0.809 . . . . 0.0 110.658 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.0 -25.6 67.15 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.382 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 O-C-N 120.737 -1.227 . . . . 0.0 110.086 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.66 -39.64 84.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 110.605 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.88 -24.86 1.61 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 108.582 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.12 -49.99 75.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.468 -0.77 . . . . 0.0 109.674 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 19.5 pttt -69.99 -30.02 67.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -77.81 -39.97 42.0 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 110.423 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtp -59.99 -43.16 95.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.65 -1.281 . . . . 0.0 109.999 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 m -60.73 -39.99 83.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.011 -1.056 . . . . 0.0 108.458 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.26 93.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.671 -0.643 . . . . 0.0 109.883 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.07 -45.11 93.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.067 -1.021 . . . . 0.0 108.952 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -40.04 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.391 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.96 -39.99 72.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.033 -1.042 . . . . 0.0 110.106 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -59.99 -35.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.59 -49.95 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.198 -0.938 . . . . 0.0 110.382 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.17 -23.16 47.77 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.158 -0.964 . . . . 0.0 110.805 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 111.754 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -108.17 -31.45 7.9 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 120.884 -1.135 . . . . 0.0 110.911 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.9 t -61.81 -39.98 93.68 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.112 -0.993 . . . . 0.0 111.637 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 6.58 61.9 Favored Glycine 0 N--CA 1.495 2.621 0 C-N-CA 120.059 -1.067 . . . . 0.0 111.686 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -70.02 -40.03 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.535 -1.568 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 15.3 pt-20 -156.53 160.02 39.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.777 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.02 -167.49 38.89 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.4 136.4 34.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -1.164 . . . . 0.0 109.323 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -74.33 -10.8 59.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.43 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.8 -30.41 62.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.343 -0.848 . . . . 0.0 109.215 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -129.57 158.83 38.19 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.591 -0.693 . . . . 0.0 109.825 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.35 127.96 52.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.815 -0.553 . . . . 0.0 109.832 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 29' ' ' LYS . 57.2 tttp -99.3 159.98 14.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 82.2 mttt -39.79 -44.51 1.61 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.644 -0.66 . . . . 0.0 110.554 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 66.4 m -60.04 -42.58 94.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.815 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 80.4 mt-10 -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.742 -1.224 . . . . 0.0 109.24 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.28 -38.87 91.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.014 -1.054 . . . . 0.0 108.6 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -57.19 -39.91 76.33 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 38' ' ' ASN . 51.6 tp10 -68.79 -40.05 79.85 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.685 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.267 -0.895 . . . . 0.0 110.047 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.95 -40.04 78.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.501 -0.749 . . . . 0.0 109.838 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.97 -24.3 43.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.993 -1.067 . . . . 0.0 110.695 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -86.44 -45.91 10.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.906 -1.121 . . . . 0.0 110.236 -178.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -82.07 -42.42 19.23 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.848 -1.158 . . . . 0.0 108.985 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.3 67.39 0.65 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -74.25 -68.33 0.54 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.054 -1.029 . . . . 0.0 109.676 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.7 -19.55 6.78 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 109.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 108.715 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.97 -153.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -49.22 133.51 19.11 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.152 -0.968 . . . . 0.0 109.975 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.68 141.47 35.44 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.429 HG21 HD12 ' B' ' 47' ' ' ILE . 42.6 mm -114.19 114.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 CA-C-O 121.59 0.71 . . . . 0.0 110.264 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.59 -11.68 8.23 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -122.78 152.16 40.92 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.514 0.673 . . . . 0.0 110.839 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' B' ' 54' ' ' ASP . 13.9 pt20 -74.68 -21.45 59.39 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.7 pt-20 -60.05 -43.76 95.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.635 -0.665 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 26.1 t -60.36 -49.5 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.2 t0 -68.75 -42.17 77.9 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.229 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -69.71 -39.15 77.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.04 -35.86 65.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 42.3 mmm -70.95 -40.02 72.24 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.31 -30.49 69.53 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.1 m -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.96 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.9 -53.35 2.66 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.264 -0.897 . . . . 0.0 108.93 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -81.25 56.41 2.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -68.82 2.12 2.82 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.6 m-20 -74.55 -35.87 63.11 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.3 11.34 84.38 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 106.599 -2.601 . . . . 0.0 106.599 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -75.68 1.06 15.57 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.01 31.04 78.25 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -144.78 149.79 36.09 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.488 -1.007 . . . . 0.0 111.378 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 118.9 21.47 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.512 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 36.7 t0 -80.27 169.96 17.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.032 -1.043 . . . . 0.0 109.514 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 19.2 p90 -58.0 -39.25 77.78 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 6.1 tp-100 -60.0 -40.01 87.77 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.151 -0.968 . . . . 0.0 108.504 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.32 -39.31 92.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.06 -1.025 . . . . 0.0 108.939 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.07 -36.89 78.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.449 -0.782 . . . . 0.0 109.08 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.62 -38.68 81.99 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.468 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.81 -28.85 67.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.913 -1.117 . . . . 0.0 110.466 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.01 -43.49 95.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.735 -1.228 . . . . 0.0 108.609 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -42.0 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.449 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.3 m -60.16 -39.99 88.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.296 0.569 . . . . 0.0 109.635 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -64.83 -45.56 85.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.461 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.23 -29.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 C-N-CA 118.859 -1.137 . . . . 0.0 109.587 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.1 m -69.7 -38.44 76.95 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.385 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 78' ' ' SER . 19.9 p -75.21 -41.35 57.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.016 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.88 96.81 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.0 -1.062 . . . . 0.0 109.882 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 22.8 m -67.53 -40.43 85.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.265 -0.897 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.67 -39.99 95.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.453 -0.779 . . . . 0.0 110.664 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.07 -25.59 67.1 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.226 -0.921 . . . . 0.0 111.381 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 O-C-N 120.799 -1.188 . . . . 0.0 110.038 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.02 -36.23 76.79 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.98 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.852 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' A' ' 59' ' ' THR . 10.0 mp . . . . . 0 N--CA 1.489 1.483 0 O-C-N 120.845 -1.16 . . . . 0.0 108.6 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.01 -36.13 76.54 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.07 -39.91 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.023 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.77 -38.99 83.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.845 -1.159 . . . . 0.0 108.761 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.562 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 1' ' ' SER . 25.5 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.221 0.534 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.26 -40.02 78.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.121 -0.987 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.98 -21.9 61.83 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.014 -1.054 . . . . 0.0 110.333 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -59.92 -45.9 91.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.862 -1.149 . . . . 0.0 109.792 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -70.09 -31.64 69.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.855 -1.153 . . . . 0.0 109.544 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.86 -39.05 64.24 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.216 -0.927 . . . . 0.0 110.442 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.4 tpp -59.98 -46.25 90.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 110.131 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.96 -40.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.592 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.32 95.3 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.733 -0.604 . . . . 0.0 109.811 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.54 -40.71 93.21 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 109.067 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.35 -43.09 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.185 -0.947 . . . . 0.0 109.023 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -71.02 -40.02 72.0 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 109.586 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.98 -32.66 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.06 -46.3 89.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -71.73 -31.59 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 111.809 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.99 -42.71 94.82 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.761 -1.212 . . . . 0.0 111.688 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.531 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 78.4 m-85 -97.48 -30.9 12.63 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.785 -1.197 . . . . 0.0 110.331 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.5 t -60.57 -40.0 90.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.84 14.81 57.68 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -60.06 -40.16 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.236 . . . . 0.0 109.308 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -167.63 97.28 0.47 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.4 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.38 -160.55 0.59 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.0 m-20 50.1 40.57 21.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.168 -1.196 . . . . 0.0 109.417 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -38.1 89.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.868 . . . . 0.0 109.821 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.71 -39.79 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.577 -0.702 . . . . 0.0 111.125 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 57.7 mttm -128.99 162.25 28.03 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.101 -0.999 . . . . 0.0 110.568 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.7 mt -104.98 124.07 48.87 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.442 -0.786 . . . . 0.0 110.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -84.92 157.31 20.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -50.82 -39.94 54.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.004 -1.06 . . . . 0.0 109.552 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -42.43 94.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.21 -40.0 82.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.408 -0.808 . . . . 0.0 109.111 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.97 -39.12 88.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 108.882 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.14 -39.94 82.57 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.821 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.02 -50.24 74.51 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.557 -0.715 . . . . 0.0 110.483 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.51 -39.99 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.027 -1.045 . . . . 0.0 110.322 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -80.5 -24.0 39.73 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.864 -1.147 . . . . 0.0 111.553 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -89.52 -26.16 21.02 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.827 -1.171 . . . . 0.0 111.242 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -97.21 -27.82 14.36 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.796 -1.19 . . . . 0.0 108.51 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' GLU . 33.3 mt -117.53 71.41 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -52.74 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.93 -1.106 . . . . 0.0 109.706 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.87 11.59 6.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.476 -0.765 . . . . 0.0 109.428 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.66 -8.09 53.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.274 -0.891 . . . . 0.0 109.983 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.28 -67.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 109.373 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 40' ' ' LEU . 92.0 mt-10 -120.72 138.54 53.92 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.638 -0.664 . . . . 0.0 110.911 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -118.98 122.63 42.65 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.76 120.2 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 122.211 1.005 . . . . 0.0 109.917 -178.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -135.71 -9.99 2.11 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.29 147.05 48.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.62 -0.675 . . . . 0.0 110.427 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.5 pt20 -73.75 -18.82 60.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.694 -0.629 . . . . 0.0 110.342 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.57 -49.85 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -60.27 -40.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.417 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 56.6 t0 -68.18 -43.51 77.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.439 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.94 -36.72 75.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.907 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.68 -34.98 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.4 mmt -60.96 -40.0 91.68 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.52 -29.88 69.39 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.5 m -71.74 -40.02 69.67 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 6.7 mp -101.38 -56.71 2.24 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.299 -0.876 . . . . 0.0 108.688 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.7 t0 -78.71 55.26 1.65 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.43 2.67 2.18 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 61' ' ' ASP . 75.6 m-20 -84.21 -31.66 24.94 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 10.06 78.71 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 51.1 p30 -84.47 2.0 42.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.22 33.2 84.45 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -141.82 152.74 43.96 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.391 -1.064 . . . . 0.0 111.12 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 119.56 24.74 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' A' ' 26' ' ' LYS . 75.3 m-20 -79.01 169.82 17.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.396 -0.815 . . . . 0.0 109.379 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -58.15 -40.0 80.24 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 7.2 tt0 -60.81 -40.11 91.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 44.0 mt-10 -64.69 -39.97 94.59 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.456 -0.778 . . . . 0.0 109.369 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.94 -39.94 87.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.4 -0.813 . . . . 0.0 109.614 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.9 mmm -60.02 -37.02 78.52 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.66 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.71 76.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.026 -1.047 . . . . 0.0 110.674 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.96 -40.03 87.64 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 109.313 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.9 OUTLIER -60.89 -44.27 97.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 108.873 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -60.07 -40.62 90.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.496 -0.752 . . . . 0.0 109.679 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.3 ttp -65.36 -43.56 90.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.35 -0.844 . . . . 0.0 110.195 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 t -80.39 -29.61 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.041 -1.037 . . . . 0.0 109.126 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.3 m -64.99 -40.05 94.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.197 -0.94 . . . . 0.0 108.857 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 p -71.52 -42.66 67.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.644 -0.66 . . . . 0.0 110.859 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.08 67.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.822 -1.173 . . . . 0.0 109.838 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 -49.64 76.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.34 -45.79 92.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.17 -40.2 89.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.0 108.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.637 -0.664 . . . . 0.0 109.787 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 1' ' ' SER . 23.7 p . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.75 -39.95 76.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.201 -0.937 . . . . 0.0 109.582 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.16 -21.83 62.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 0.0 110.31 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.9 -46.07 90.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.923 -1.11 . . . . 0.0 109.741 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -70.0 -31.63 69.41 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.969 -1.082 . . . . 0.0 109.537 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.32 64.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 110.403 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.1 tpp -60.03 -46.02 90.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.068 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -60.01 -39.94 81.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 108.604 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.33 95.14 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.689 -0.632 . . . . 0.0 109.8 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.58 -40.56 92.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.085 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.415 HG21 HD13 ' B' ' 11' ' ' ILE . 94.5 mt -65.68 -42.65 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 109.031 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -71.25 -40.02 71.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.531 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.0 -32.77 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.583 -0.698 . . . . 0.0 109.391 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -71.47 -31.82 67.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 111.846 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.96 -42.55 94.35 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.765 -1.209 . . . . 0.0 111.732 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.521 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 78.5 m-85 -97.62 -30.72 12.68 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.791 -1.193 . . . . 0.0 110.286 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -60.75 -39.97 90.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.87 14.72 57.94 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -59.95 -40.14 87.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.058 -1.26 . . . . 0.0 109.263 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.61 97.5 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.448 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 -160.95 0.48 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 50.54 40.49 23.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -1.169 . . . . 0.0 109.351 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.85 -37.96 89.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.77 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.79 -39.82 72.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.633 -0.667 . . . . 0.0 111.239 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 69' ' ' ASP . 58.1 mttm -128.89 162.03 28.47 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.111 -0.993 . . . . 0.0 110.473 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.87 124.21 49.07 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.45 -0.781 . . . . 0.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -85.02 156.9 20.91 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.115 -0.991 . . . . 0.0 108.44 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.61 -40.01 51.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.937 -1.102 . . . . 0.0 109.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 43.7 t -60.05 -41.85 93.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.84 -1.163 . . . . 0.0 109.135 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.58 -39.98 80.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.374 -0.829 . . . . 0.0 109.047 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.2 -38.97 88.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.177 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -56.12 -39.92 72.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 108.98 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.05 -40.03 82.91 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.321 -0.952 . . . . 0.0 108.832 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.0 -49.91 75.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.537 -0.727 . . . . 0.0 110.565 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 36' ' ' ILE . 61.0 mt -70.85 -40.0 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.057 -1.027 . . . . 0.0 110.339 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -80.38 -23.99 40.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.81 -1.181 . . . . 0.0 111.428 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -89.63 -25.95 21.01 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.813 -1.179 . . . . 0.0 111.304 -178.241 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -97.4 -27.99 14.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.774 -1.204 . . . . 0.0 108.446 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 45' ' ' GLU . 33.3 mt -117.21 71.37 0.8 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -52.84 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.142 . . . . 0.0 109.763 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -128.69 11.05 6.15 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.507 -0.745 . . . . 0.0 109.461 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.02 -8.28 54.35 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.902 . . . . 0.0 110.062 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.13 -67.88 0.2 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.046 -1.034 . . . . 0.0 109.298 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 90.2 mt-10 -120.66 138.77 53.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.657 -0.652 . . . . 0.0 110.95 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.29 122.73 42.56 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.95 120.07 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 122.25 1.024 . . . . 0.0 109.762 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -135.5 -10.23 2.16 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.21 147.31 48.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.618 -0.676 . . . . 0.0 110.417 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -74.02 -18.79 60.8 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.708 -0.62 . . . . 0.0 110.213 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.52 -49.98 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.28 -40.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.374 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -68.04 -43.4 78.82 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.03 -36.91 75.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.327 -0.858 . . . . 0.0 108.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.45 -34.97 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.5 mmt -61.0 -39.96 91.7 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -60.69 -29.48 69.35 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.1 m -72.02 -40.0 68.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 6.7 mp -101.32 -56.82 2.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.281 -0.887 . . . . 0.0 108.64 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 25.5 t0 -78.42 55.2 1.55 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.42 2.51 2.29 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' B' ' 61' ' ' ASP . 75.4 m-20 -83.84 -31.75 25.63 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.27 78.09 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.744 -2.142 . . . . 0.0 107.744 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.5 p30 -84.8 2.09 43.83 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.04 33.24 84.89 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -141.56 153.01 44.57 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.399 -1.059 . . . . 0.0 111.01 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.07 119.26 23.89 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 75.9 m-20 -78.84 169.92 17.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.438 -0.789 . . . . 0.0 109.383 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 25.4 p90 -58.57 -39.97 81.77 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 7.1 tt0 -60.72 -40.01 90.75 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 43.3 mt-10 -64.64 -39.99 94.67 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 109.492 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.95 -39.87 87.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.384 -0.822 . . . . 0.0 109.6 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.5 mmm -60.04 -37.49 79.97 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.18 -33.87 77.03 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.996 -1.065 . . . . 0.0 110.756 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.897 -1.127 . . . . 0.0 109.246 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.9 OUTLIER -60.86 -44.32 97.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.362 -0.836 . . . . 0.0 108.848 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 81.9 p -60.02 -41.2 91.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.502 -0.749 . . . . 0.0 109.756 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.2 ttp -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.296 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.8 t -80.66 -29.27 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.032 -1.043 . . . . 0.0 109.265 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.6 m -65.05 -39.97 94.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.222 -0.924 . . . . 0.0 108.822 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.9 p -71.59 -42.88 67.2 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.887 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.1 67.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.841 -1.162 . . . . 0.0 109.857 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.71 -49.46 76.36 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.215 -0.928 . . . . 0.0 109.146 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.26 -45.88 91.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 0.0 109.627 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.14 -40.15 88.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 108.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--N 1.301 -1.507 0 O-C-N 121.691 -0.631 . . . . 0.0 109.814 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.98 -49.62 76.95 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.706 -1.247 . . . . 0.0 110.158 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.92 -40.18 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.907 -1.121 . . . . 0.0 109.964 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.221 -0.924 . . . . 0.0 109.356 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.419 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -59.99 -49.49 77.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 110.195 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.73 -40.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.956 -1.09 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.96 -40.02 87.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.728 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.551 -179.692 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.05 -39.95 75.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.159 -0.963 . . . . 0.0 110.495 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.0 -23.66 66.61 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.808 -1.182 . . . . 0.0 110.357 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.5 tt0 -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.926 -1.109 . . . . 0.0 110.146 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -36.12 63.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.888 -1.133 . . . . 0.0 109.319 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.33 93.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.3 ttm -60.03 -40.23 88.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.239 -0.913 . . . . 0.0 109.825 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.98 -40.21 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.52 85.46 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.528 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.21 -42.15 94.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.972 -1.08 . . . . 0.0 109.424 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 11' ' ' ILE . 96.8 mt -62.48 -44.0 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.95 -1.094 . . . . 0.0 109.49 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -70.02 -40.03 75.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.792 -1.192 . . . . 0.0 109.747 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.98 -32.79 48.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 89.5 t80 -60.02 -49.74 76.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.013 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.16 -35.23 73.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.768 -0.582 . . . . 0.0 112.371 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -59.96 -47.94 83.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.669 -1.27 . . . . 0.0 111.946 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -92.22 -35.97 13.52 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.683 -1.261 . . . . 0.0 110.711 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 76.0 p -63.58 -40.06 96.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.847 -1.158 . . . . 0.0 110.12 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.44 -2.6 82.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.38 -40.07 89.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.952 -1.322 . . . . 0.0 109.559 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.6 tt0 -152.23 149.3 28.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.203 -0.936 . . . . 0.0 109.194 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.0 -159.48 53.37 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.56 141.6 34.93 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.4 -1.059 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -79.99 -10.74 59.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.366 -0.833 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -73.51 -36.78 65.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.079 -1.013 . . . . 0.0 110.558 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.64 157.91 40.79 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.198 -0.939 . . . . 0.0 109.824 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.18 138.06 37.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.378 -0.826 . . . . 0.0 109.327 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 34.9 ttpt -107.55 151.44 25.59 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 13.4 ptpt -39.85 -44.45 1.63 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.46 -0.775 . . . . 0.0 110.567 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -61.76 -40.37 94.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.969 -1.082 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 63.8 mt-10 -70.03 -40.01 75.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.649 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.35 -40.06 95.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 109.081 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -55.14 -39.98 70.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.059 -1.026 . . . . 0.0 108.69 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -68.18 -39.98 82.39 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.4 -0.813 . . . . 0.0 108.835 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.02 -49.97 75.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.73 -0.607 . . . . 0.0 110.206 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.83 -39.96 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.206 -0.934 . . . . 0.0 110.415 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -80.91 -25.53 37.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.943 -1.098 . . . . 0.0 111.434 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -89.47 -29.23 19.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.47 -1.394 . . . . 0.0 111.417 -178.21 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -101.23 -16.34 17.02 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.896 -1.128 . . . . 0.0 111.326 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -161.98 64.35 0.24 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.555 -1.341 . . . . 0.0 110.596 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.82 -68.94 0.62 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.03 -1.044 . . . . 0.0 109.984 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p-80 -91.32 -9.42 45.02 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.17 -0.956 . . . . 0.0 109.868 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.1 m-85 -69.22 -39.88 78.3 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.135 -0.978 . . . . 0.0 108.428 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -129.04 -98.88 0.35 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -99.1 133.12 43.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.496 -0.752 . . . . 0.0 109.475 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.64 121.5 34.13 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 47' ' ' ILE . 36.7 mm -96.71 113.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 122.096 0.95 . . . . 0.0 110.007 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -130.08 -8.84 4.34 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -122.15 152.06 40.3 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.379 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -75.7 -21.07 57.91 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 9.8 pt-20 -60.08 -42.85 95.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.488 -0.757 . . . . 0.0 110.045 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 19.1 t -62.51 -49.99 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.72 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.565 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.75 -42.69 81.38 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 118.394 -1.322 . . . . 0.0 109.04 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -70.58 -40.0 73.55 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.98 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.9 -35.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 CA-C-O 121.432 0.634 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.8 tpt -72.01 -43.75 64.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.1 -31.0 69.63 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -65.01 -33.68 76.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.807 -0.558 . . . . 0.0 110.407 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.85 -36.61 7.75 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.9 t0 -81.94 54.06 2.36 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.19 -3.79 4.31 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.7 m-20 -75.59 -35.96 60.43 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.96 82.31 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -82.49 1.17 39.03 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 70.04 28.96 71.02 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.56 -1.816 . . . . 0.0 108.56 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.3 mt-10 -145.39 158.59 43.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.307 -1.113 . . . . 0.0 110.273 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 119.98 23.21 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.03 170.02 17.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -0.765 . . . . 0.0 109.983 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.6 p90 -55.88 -40.66 73.28 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 63.5 tt0 -60.02 -42.87 95.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 108.558 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 48.2 mt-10 -66.42 -40.06 89.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.449 -0.782 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 2.1 t80 -59.98 -37.29 79.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.83 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 mmt -60.01 -39.41 85.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.193 -0.942 . . . . 0.0 109.512 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.08 69.14 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.991 -1.068 . . . . 0.0 110.19 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.92 -1.113 . . . . 0.0 108.674 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -65.49 -41.12 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.444 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.8 m -59.93 -45.61 92.05 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.405 0.622 . . . . 0.0 109.658 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.3 mtp -61.15 -46.23 91.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.235 -0.916 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -81.37 -30.47 11.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.463 -0.773 . . . . 0.0 109.919 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' VAL . 86.8 m -70.06 -39.94 75.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.19 -0.944 . . . . 0.0 108.597 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.6 m -70.5 -39.99 73.82 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.974 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.03 86.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.858 -1.152 . . . . 0.0 109.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.8 t -63.29 -41.9 99.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.294 -0.879 . . . . 0.0 109.591 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.92 -44.76 94.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.283 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -40.0 96.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.157 -0.964 . . . . 0.0 109.587 -179.569 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 1' ' ' SER . 10.7 t . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.04 -40.02 75.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.002 . . . . 0.0 110.433 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.232 . . . . 0.0 110.339 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.462 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.02 -50.52 73.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.853 -1.154 . . . . 0.0 110.011 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -36.29 65.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.922 -1.111 . . . . 0.0 109.437 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.91 93.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.04 -1.037 . . . . 0.0 109.4 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.0 ttm -60.01 -40.31 88.79 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.14 87.09 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.604 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.99 -41.74 97.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.409 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.423 HD12 HG22 ' B' ' 11' ' ' ILE . 96.8 mt -62.59 -44.07 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 0.0 109.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.03 -39.96 75.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.775 -1.203 . . . . 0.0 109.729 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.02 -32.69 48.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.01 -49.93 75.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.373 -0.829 . . . . 0.0 108.929 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.03 -35.21 74.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.0 -47.94 83.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.0 112.017 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -92.26 -35.92 13.52 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.702 -1.249 . . . . 0.0 110.699 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 76.2 p -63.55 -40.0 95.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.924 -1.11 . . . . 0.0 110.159 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.81 -2.43 81.49 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -66.33 -39.99 89.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.965 -1.315 . . . . 0.0 109.508 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.0 tt0 -152.13 149.45 28.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.207 -0.933 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.84 -159.55 53.27 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.4 141.59 35.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -1.032 . . . . 0.0 110.221 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -80.1 -10.67 59.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.315 -0.866 . . . . 0.0 110.317 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -73.44 -37.1 65.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.084 -1.01 . . . . 0.0 110.528 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.63 157.82 41.03 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.02 138.01 37.68 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 109.374 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' B' ' 29' ' ' LYS . 35.0 ttpt -107.28 151.6 25.25 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 28' ' ' LYS . 13.4 ptpt -39.92 -44.12 1.63 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.465 -0.772 . . . . 0.0 110.512 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -62.01 -40.53 95.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.986 -1.071 . . . . 0.0 110.124 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 62.8 mt-10 -70.01 -40.03 75.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.118 -0.989 . . . . 0.0 108.686 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.31 -39.97 94.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.368 -0.832 . . . . 0.0 109.118 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -55.01 -40.03 69.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.014 -1.054 . . . . 0.0 108.622 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -68.27 -40.0 81.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.97 -49.99 75.52 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -68.69 -39.98 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.001 . . . . 0.0 110.391 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -80.88 -25.45 37.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.943 -1.098 . . . . 0.0 111.431 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -89.43 -29.68 18.86 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.436 -1.415 . . . . 0.0 111.318 -178.205 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -101.01 -15.84 17.33 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.919 -1.113 . . . . 0.0 111.345 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -162.38 64.02 0.22 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.45 -1.406 . . . . 0.0 110.711 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.65 -69.04 0.61 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.015 -1.053 . . . . 0.0 110.049 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.4 p-80 -91.0 -9.66 45.14 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.168 -0.957 . . . . 0.0 109.868 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 86.6 m-85 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 108.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.8 mt -129.35 -99.15 0.34 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -98.84 133.31 43.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.401 -0.812 . . . . 0.0 109.477 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.73 121.6 34.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.446 HG22 HD13 ' B' ' 47' ' ' ILE . 36.2 mm -96.74 113.5 31.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-O 122.104 0.954 . . . . 0.0 109.955 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -130.1 -8.57 4.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -122.43 151.92 40.77 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.644 0.735 . . . . 0.0 110.321 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -75.6 -20.97 58.21 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 9.7 pt-20 -60.19 -42.92 96.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.546 -0.721 . . . . 0.0 110.121 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 19.3 t -62.47 -49.83 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.5 t -60.83 -40.58 85.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.597 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.95 -42.53 80.8 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.366 -1.334 . . . . 0.0 108.959 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' B' ' 59' ' ' THR . 51.8 mtmt -70.66 -39.99 73.26 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.96 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -74.87 -35.33 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 121.46 0.647 . . . . 0.0 109.318 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.529 ' N ' ' O ' ' B' ' 53' ' ' VAL . 5.8 tpt -71.99 -43.74 64.61 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -31.09 69.6 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 26.6 m -65.01 -33.71 76.69 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.739 -0.6 . . . . 0.0 110.372 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 4.1 mm? -103.74 -36.89 7.7 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.0 t0 -81.74 53.93 2.28 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.2 -3.66 4.16 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -75.66 -35.84 60.3 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.79 82.57 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -82.56 1.27 38.84 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.87 28.98 71.24 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.4 mt-10 -145.33 158.45 43.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.303 -1.116 . . . . 0.0 110.267 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.57 120.05 23.45 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -80.01 169.98 17.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.479 -0.763 . . . . 0.0 109.979 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.5 p90 -56.09 -40.62 73.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.548 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.4 tt0 -60.02 -42.88 95.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 108.524 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 48.2 mt-10 -66.52 -39.91 88.87 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.414 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 2.1 t80 -60.03 -37.25 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.887 . . . . 0.0 109.36 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.8 mmt -59.93 -39.42 85.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.124 -0.985 . . . . 0.0 109.548 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.26 69.33 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.042 -1.036 . . . . 0.0 110.208 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -60.04 -41.37 92.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.916 -1.115 . . . . 0.0 108.73 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.2 OUTLIER -65.29 -41.13 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' B' ' 82' ' ' THR . 20.4 m -59.98 -45.54 92.38 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.388 0.613 . . . . 0.0 109.688 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 49.4 mtp -61.18 -46.46 90.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.264 -0.897 . . . . 0.0 110.285 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.06 -30.58 11.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.492 -0.755 . . . . 0.0 109.935 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.506 ' N ' ' O ' ' B' ' 77' ' ' VAL . 96.2 m -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 108.649 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 78' ' ' SER . 19.9 m -70.62 -40.01 73.41 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.074 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.99 86.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.832 -1.168 . . . . 0.0 109.511 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.15 -42.02 99.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.883 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.01 -39.97 96.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -0.764 . . . . 0.0 109.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 0.0 109.641 -179.557 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.33 -39.32 92.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.94 -42.52 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.511 -0.743 . . . . 0.0 110.842 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.491 1.621 0 O-C-N 120.863 -1.148 . . . . 0.0 108.501 -179.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.29 -39.57 92.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.0 -42.35 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.443 -0.786 . . . . 0.0 110.858 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.03 -39.4 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.841 -1.162 . . . . 0.0 108.674 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.474 -179.652 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -69.68 -38.7 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 109.897 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.86 -23.6 63.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.848 -1.157 . . . . 0.0 110.489 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' B' ' 43' ' ' PHE . 86.2 tt0 -59.89 -48.79 80.26 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.74 -1.225 . . . . 0.0 110.106 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HZ2' ' HZ1' ' B' ' 5' ' ' LYS . 6.3 ptmt -69.75 -36.67 75.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.948 -1.095 . . . . 0.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.06 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.318 -0.864 . . . . 0.0 110.366 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 mmm -61.43 -40.67 95.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.897 -1.127 . . . . 0.0 109.05 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.54 -40.02 83.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.49 85.22 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.849 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.09 -44.75 94.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.981 -1.074 . . . . 0.0 109.048 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.48 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.031 -1.043 . . . . 0.0 109.335 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -64.55 -39.92 94.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.865 -1.147 . . . . 0.0 109.418 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.9 -33.83 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 83.3 t80 -59.98 -48.47 81.57 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.416 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.665 ' HD1' ' NZ ' ' A' ' 24' ' ' LYS . 84.6 t60 -67.42 -33.78 75.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.68 -0.637 . . . . 0.0 111.84 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.683 -1.261 . . . . 0.0 110.518 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.3 -34.82 9.84 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.994 -1.066 . . . . 0.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -69.05 -40.05 78.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.055 -1.028 . . . . 0.0 109.682 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.18 3.22 62.76 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 55.8 ttt180 -65.4 -39.43 92.18 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.398 -1.06 . . . . 0.0 109.184 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.73 166.94 12.57 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -59.04 -39.47 94.35 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 45.4 p-10 -67.9 70.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.311 . . . . 0.0 109.662 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.665 ' NZ ' ' HD1' ' A' ' 15' ' ' HIS . 63.8 tttp -69.33 -29.85 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.798 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -71.83 -32.41 67.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.0 110.514 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -125.05 148.86 48.3 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 109.833 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.18 120.61 42.59 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.579 -0.7 . . . . 0.0 109.596 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 30.5 ttmt -82.72 152.13 25.9 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.4 ptpp? -43.06 -37.47 1.98 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.026 -1.046 . . . . 0.0 110.169 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -61.47 -40.94 96.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.858 -1.151 . . . . 0.0 109.778 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 47.8 mt-10 -70.07 -39.97 75.31 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.054 -1.029 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.969 -1.082 . . . . 0.0 108.276 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -57.8 -40.07 79.05 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.14 -39.92 90.2 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.8 tm? -58.84 -49.47 77.62 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.09 -47.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.497 -0.752 . . . . 0.0 111.115 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -73.07 -24.77 60.72 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.397 -1.44 . . . . 0.0 111.528 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -87.18 -29.71 21.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.784 -1.198 . . . . 0.0 111.221 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -102.94 -25.01 13.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.875 -1.141 . . . . 0.0 109.848 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.34 44.29 2.27 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.76 -89.81 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.706 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -107.17 -10.24 15.91 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.339 -0.851 . . . . 0.0 110.286 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 88.3 m-85 -69.11 -32.84 72.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 108.749 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.1 -159.82 1.0 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.09 133.71 11.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.0 109.435 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -100.73 123.57 45.12 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -90.95 109.77 21.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.861 0.839 . . . . 0.0 109.683 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.25 -10.69 7.0 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.7 tp10 -124.17 135.03 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.295 0.569 . . . . 0.0 109.975 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -62.34 -23.62 66.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.325 -0.86 . . . . 0.0 109.422 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.03 -40.03 87.9 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.107 -0.995 . . . . 0.0 109.537 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' VAL . 47.8 t -62.4 -46.91 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 t -60.0 -42.0 88.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.769 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.63 -45.61 74.88 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.043 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.39 -39.98 81.52 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' VAL . 42.8 t -70.03 -36.83 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.4 mmm -71.27 -39.96 71.24 Favored 'General case' 0 C--O 1.199 -1.576 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 85.8 tt0 -58.42 -30.19 66.68 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.846 -1.159 . . . . 0.0 107.974 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 91.9 m -66.46 -40.02 89.15 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.81 -45.38 4.4 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.151 -0.968 . . . . 0.0 108.868 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.7 t0 -71.58 52.96 0.21 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 73.6 mm-40 -67.08 3.79 1.06 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.743 0.782 . . . . 0.0 108.891 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 61' ' ' ASP . 90.6 m-20 -83.35 -32.08 26.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.18 10.65 83.47 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.3 p-10 -86.13 2.05 48.24 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.48 30.25 76.19 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.0 mt-10 -142.86 152.31 42.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.497 -1.002 . . . . 0.0 110.116 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.4 t -127.45 120.16 27.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.1 t70 -82.51 170.01 15.7 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.109 -0.995 . . . . 0.0 109.732 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.1 t80 -48.59 -49.4 36.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.28 -41.32 93.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.694 -0.629 . . . . 0.0 110.875 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.92 -40.0 75.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.891 -1.13 . . . . 0.0 108.938 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 t80 -69.52 -34.14 73.83 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.506 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -58.97 -34.82 72.25 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.21 -24.82 64.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.643 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 33.8 t80 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.074 . . . . 0.0 108.743 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -40.16 81.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 120.971 -1.081 . . . . 0.0 108.548 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.516 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 51.8 m -65.56 -42.13 92.19 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.538 -177.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.56 -39.89 73.69 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.439 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 t -77.44 -33.06 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.757 -1.214 . . . . 0.0 109.459 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.6 m -67.07 -39.97 86.95 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.729 -1.232 . . . . 0.0 108.311 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -69.92 -40.08 75.76 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.437 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.96 97.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.024 -1.048 . . . . 0.0 109.967 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 t -63.72 -41.72 98.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.79 -40.28 94.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -0.947 . . . . 0.0 109.168 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.79 -40.67 93.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.424 -0.797 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.298 -1.669 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.363 -179.595 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.41 -38.62 78.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.0 109.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.84 -23.72 63.34 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.875 -1.141 . . . . 0.0 110.527 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.1 tt0 -59.92 -49.18 78.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 109.951 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.405 ' HZ1' ' HZ2' ' A' ' 5' ' ' LYS . 5.8 ptmt -69.26 -37.17 77.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 109.662 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.11 95.23 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 110.33 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.7 mmm -61.58 -40.46 94.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.796 -1.19 . . . . 0.0 109.019 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.66 -39.98 83.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.61 85.43 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.923 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.03 -44.95 94.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.007 -1.058 . . . . 0.0 109.062 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.17 -49.4 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.03 -1.044 . . . . 0.0 109.433 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.73 -39.96 94.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.393 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 t -55.84 -33.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 83.4 t80 -60.01 -48.74 80.47 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.353 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.667 ' HD1' ' NZ ' ' B' ' 24' ' ' LYS . 84.2 t60 -67.26 -33.68 75.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.64 -0.662 . . . . 0.0 111.856 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.92 -40.05 87.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.642 -1.286 . . . . 0.0 110.585 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -100.2 -34.98 9.8 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.015 -1.053 . . . . 0.0 109.998 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -68.94 -40.07 79.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.001 -1.062 . . . . 0.0 109.707 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.16 3.32 62.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 55.5 ttt180 -65.3 -39.72 92.89 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.366 -1.079 . . . . 0.0 109.1 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -119.58 167.15 12.28 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -59.1 -39.66 94.67 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' OE1' ' B' ' 31' ' ' GLU . 45.0 p-10 -67.75 70.3 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.935 -1.332 . . . . 0.0 109.684 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.667 ' NZ ' ' HD1' ' B' ' 15' ' ' HIS . 64.8 tttp -69.47 -29.81 67.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 0.0 109.758 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -71.77 -32.18 67.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.624 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -125.2 149.16 48.23 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.169 -0.957 . . . . 0.0 109.773 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 54.6 mt -107.29 120.53 42.39 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.594 -0.691 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 29' ' ' LYS . 31.1 ttmt -82.61 152.27 25.99 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -43.19 -37.39 2.08 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.958 -1.089 . . . . 0.0 110.161 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 m -61.35 -40.87 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 47.7 mt-10 -70.06 -40.23 75.2 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.983 -1.073 . . . . 0.0 110.002 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.97 -31.57 69.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.941 -1.1 . . . . 0.0 108.401 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -57.57 -40.01 78.02 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.51 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 79.2 mm-40 -66.02 -39.98 90.7 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 2.8 tm? -58.95 -49.56 77.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.0 -47.3 69.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.507 -0.746 . . . . 0.0 111.136 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -72.78 -24.92 61.0 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.499 -1.376 . . . . 0.0 111.503 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -87.12 -29.87 21.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 -177.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -102.79 -24.86 13.69 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.898 -1.126 . . . . 0.0 109.921 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 44.42 2.26 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.7 m -52.79 -89.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.616 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -107.21 -10.28 15.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.446 -0.784 . . . . 0.0 110.304 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 88.8 m-85 -69.06 -32.81 72.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 108.757 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.22 -159.94 1.01 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.83 133.7 10.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.03 -1.044 . . . . 0.0 109.472 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.86 123.81 45.6 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.97 109.79 21.48 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-O 121.954 0.883 . . . . 0.0 109.728 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.41 -10.48 6.9 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.2 tp10 -124.3 134.88 53.07 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.227 0.537 . . . . 0.0 109.976 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -62.15 -23.6 66.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.404 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 pp20? -60.04 -40.17 88.46 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.154 -0.966 . . . . 0.0 109.605 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' B' ' 56' ' ' VAL . 45.9 t -62.27 -46.93 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.01 -41.6 86.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.8 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.0 -45.57 73.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 118.779 -1.168 . . . . 0.0 109.041 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.51 -39.91 81.05 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -69.98 -36.84 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.5 mmm -71.33 -39.98 71.03 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.435 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.1 tt0 -58.59 -30.02 66.89 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 91.3 m -66.58 -39.89 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.295 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.84 -45.55 4.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.126 -0.984 . . . . 0.0 108.725 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.4 t0 -71.43 52.95 0.2 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 74.0 mm-40 -67.1 3.88 1.04 Allowed 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' B' ' 61' ' ' ASP . 90.6 m-20 -83.3 -32.19 26.47 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 10.58 83.38 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.2 p-10 -86.24 2.26 47.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.428 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.41 30.16 76.1 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.9 mt-10 -142.77 152.49 42.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 110.081 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 8.0 t -127.53 120.06 27.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.2 t70 -82.53 170.02 15.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.1 t80 -48.47 -49.52 35.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.14 -41.51 92.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.627 -0.671 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -69.66 -40.04 76.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.881 -1.137 . . . . 0.0 108.99 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 t80 -69.84 -33.77 72.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.516 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -58.99 -34.86 72.32 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -25.05 64.11 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.566 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 76' ' ' PHE . 33.4 t80 -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.924 -1.11 . . . . 0.0 108.879 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -40.0 80.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 O-C-N 121.009 -1.057 . . . . 0.0 108.587 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.506 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 53.6 m -65.62 -42.14 91.91 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.634 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.59 -40.0 73.5 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 118.34 -1.344 . . . . 0.0 110.442 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -77.18 -33.4 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.778 -1.201 . . . . 0.0 109.508 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -66.87 -39.84 87.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.716 -1.24 . . . . 0.0 108.364 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 84.7 m -69.82 -40.09 76.09 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.182 0.515 . . . . 0.0 110.489 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.29 98.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 110.016 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.67 -41.67 98.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.186 -0.946 . . . . 0.0 109.467 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -61.79 -40.22 94.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.18 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.96 -40.73 94.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.447 -0.783 . . . . 0.0 109.843 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.299 -1.628 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.324 -179.583 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.377 0.608 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.42 -38.22 86.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.047 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -39.4 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 0.0 109.995 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 64.6 mt . . . . . 0 C--N 1.302 -1.5 0 O-C-N 121.205 -0.934 . . . . 0.0 109.176 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.28 -38.34 86.41 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 97.7 mt -60.03 -39.54 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.447 ' O ' ' OG1' ' B' ' 59' ' ' THR . 47.5 mt -57.76 -39.59 77.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.183 -0.948 . . . . 0.0 109.378 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.686 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.439 0.638 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.05 -38.28 85.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.475 -0.766 . . . . 0.0 110.044 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.84 -30.96 69.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.683 -1.261 . . . . 0.0 109.602 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.991 -1.068 . . . . 0.0 110.491 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -31.99 73.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.692 -1.255 . . . . 0.0 108.456 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.97 97.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.496 -0.752 . . . . 0.0 109.587 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.4 mtt -60.09 -40.01 88.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.02 -1.05 . . . . 0.0 108.974 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.87 -40.36 82.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -48.87 58.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.849 -0.532 . . . . 0.0 110.165 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.106 -0.996 . . . . 0.0 110.121 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.28 -40.1 87.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.037 -1.039 . . . . 0.0 108.559 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.31 -39.92 77.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.268 -0.895 . . . . 0.0 110.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.43 -34.41 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' A' ' 18' ' ' SER . 73.1 t80 -59.9 -48.46 81.59 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.469 -0.769 . . . . 0.0 109.378 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' CE1' ' HE2' ' B' ' 85' ' ' HIS . 94.0 m-70 -70.11 -27.2 64.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.582 -0.699 . . . . 0.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.23 -46.17 90.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.167 -0.958 . . . . 0.0 111.355 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -101.72 -25.35 13.88 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.843 -1.161 . . . . 0.0 110.556 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 72.6 m -60.04 -40.13 88.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.562 -1.336 . . . . 0.0 108.234 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.43 4.39 59.77 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.001 -1.293 . . . . 0.0 108.854 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -129.45 161.2 30.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.699 -0.626 . . . . 0.0 109.422 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.56 -34.86 50.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.16 77.34 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.896 -1.355 . . . . 0.0 108.998 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.07 -16.46 56.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.0 109.647 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -71.29 -39.71 71.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.463 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -129.2 155.87 44.84 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.303 -0.873 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.44 115.0 29.45 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 80.0 tttt -80.01 156.9 26.94 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 13.2 ptpt -44.14 -40.24 4.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.048 -1.033 . . . . 0.0 110.012 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.4 m -60.09 -41.55 92.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.16 -0.963 . . . . 0.0 109.615 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -69.89 -40.07 75.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.22 -39.17 92.41 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.02 -40.5 89.52 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.556 -0.715 . . . . 0.0 109.871 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 50.1 tp10 -70.29 -40.05 74.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.94 -1.1 . . . . 0.0 108.842 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.01 -50.19 74.69 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.78 -0.575 . . . . 0.0 109.85 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -70.12 -41.73 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.909 -1.119 . . . . 0.0 110.058 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -65.87 -37.19 85.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.983 -1.073 . . . . 0.0 110.561 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.67 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.2 m120 -86.22 -12.71 48.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.159 -0.963 . . . . 0.0 110.444 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -106.32 -27.71 10.83 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.4 mt -112.01 54.8 0.69 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 94.9 p -45.07 -99.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.517 -0.739 . . . . 0.0 111.039 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' N ' ' OG ' ' A' ' 41' ' ' SER . 72.7 m80 -114.34 -20.42 10.85 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 110.208 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.92 -39.08 84.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 108.744 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -116.3 -162.57 0.85 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -60.06 135.14 57.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.921 -1.112 . . . . 0.0 110.318 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 5.0 pt-20 -99.19 116.23 30.91 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -83.35 126.88 40.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.979 0 CA-C-O 121.835 0.826 . . . . 0.0 109.01 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -138.55 -15.09 1.23 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 86.1 mt-10 -123.08 153.63 39.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.436 -0.79 . . . . 0.0 110.368 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.53 -23.72 62.68 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 pt-20 -60.67 -42.19 96.56 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.302 -0.873 . . . . 0.0 110.06 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.98 -47.02 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.28 -40.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.69 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.86 -40.06 79.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 118.748 -1.181 . . . . 0.0 109.47 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.93 -39.92 75.84 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.958 0.885 . . . . 0.0 108.843 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 49.6 t -69.64 -39.21 77.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-O 121.734 0.778 . . . . 0.0 109.017 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' ASP . 53.6 mtp -70.69 -39.98 73.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.49 -33.69 76.14 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 94.7 m -69.76 -40.05 76.34 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.497 0.665 . . . . 0.0 110.088 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -102.61 -58.39 1.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' MET . 94.3 m-20 -84.69 60.82 6.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.77 5.13 0.67 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' H ' ' C ' ' A' ' 61' ' ' ASP . 89.1 m-20 -71.51 -34.69 70.32 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.71 10.69 83.92 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 29.7 p-10 -78.57 -0.54 30.09 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.24 31.11 75.86 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 107.486 -2.246 . . . . 0.0 107.486 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -143.01 151.12 40.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.525 -0.985 . . . . 0.0 110.323 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 115.86 20.88 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.61 165.47 22.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.147 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 27.0 p90 -55.09 -40.02 69.96 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.202 -0.936 . . . . 0.0 108.858 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 61.8 tt0 -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.97 . . . . 0.0 108.739 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 -39.97 75.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.469 -0.769 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -59.74 -39.89 86.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.751 -1.218 . . . . 0.0 108.625 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -31.72 71.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.253 -0.904 . . . . 0.0 109.509 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.35 69.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.931 -1.106 . . . . 0.0 109.986 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.01 -41.48 92.24 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.051 -1.03 . . . . 0.0 109.519 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -44.08 96.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -63.77 -40.84 97.65 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.56 -45.01 95.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 110.469 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.6 -28.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.125 -0.985 . . . . 0.0 110.01 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 m -65.96 -40.02 90.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.067 -1.021 . . . . 0.0 109.047 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 p -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.745 -0.597 . . . . 0.0 110.554 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.87 95.58 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.043 -1.036 . . . . 0.0 109.904 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.89 -44.71 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.218 -0.926 . . . . 0.0 109.479 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.446 ' HE2' ' CE1' ' B' ' 15' ' ' HIS . 56.3 t-80 -62.35 -40.44 96.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.431 -0.793 . . . . 0.0 110.367 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.068 -1.02 . . . . 0.0 109.909 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--N 1.301 -1.538 0 O-C-N 121.04 -1.037 . . . . 0.0 108.71 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.342 0.592 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.12 -38.1 85.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.539 -0.726 . . . . 0.0 110.041 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -59.95 -31.02 69.47 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.65 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.94 -50.05 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.049 -1.032 . . . . 0.0 110.451 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -32.25 73.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.494 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.68 96.33 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.482 -0.761 . . . . 0.0 109.513 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -60.14 -39.99 88.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.995 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.02 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.14 59.24 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.341 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.84 -41.03 97.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 109.935 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.9 -40.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.976 -1.077 . . . . 0.0 108.473 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.47 -39.78 77.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.4 -34.85 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' B' ' 18' ' ' SER . 75.1 t80 -60.01 -47.89 83.98 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.401 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.446 ' CE1' ' HE2' ' A' ' 85' ' ' HIS . 93.3 m-70 -70.47 -26.84 63.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.457 -0.777 . . . . 0.0 110.783 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.92 -46.88 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.11 -0.994 . . . . 0.0 111.358 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -101.57 -25.19 13.98 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.967 -1.083 . . . . 0.0 110.515 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 67.8 m -60.22 -39.84 88.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.559 -1.338 . . . . 0.0 108.083 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.79 60.38 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.29 . . . . 0.0 108.891 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -129.38 161.31 30.63 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.685 -0.634 . . . . 0.0 109.479 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.75 49.22 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.43 77.72 0.56 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.883 -1.363 . . . . 0.0 108.935 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.485 ' CB ' ' HZ2' ' B' ' 24' ' ' LYS . 9.8 mtmp? -79.33 -16.53 56.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 109.5 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -71.31 -39.63 71.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 110.416 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -129.1 155.73 44.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.306 -0.871 . . . . 0.0 110.466 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.27 114.84 29.21 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 29' ' ' LYS . 83.8 tttt -79.95 157.2 26.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.946 -1.096 . . . . 0.0 108.109 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' B' ' 57' ' ' MET . 13.2 ptpt -44.62 -40.0 5.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.002 -1.061 . . . . 0.0 110.038 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.57 -41.18 94.1 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.494 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.06 -39.02 92.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -59.88 -41.19 91.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.508 -0.745 . . . . 0.0 109.815 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 50.0 tp10 -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.003 -1.061 . . . . 0.0 108.897 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.0 -50.11 75.01 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.937 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.99 -41.88 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.841 -1.162 . . . . 0.0 110.047 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.62 -37.24 86.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.09 -1.006 . . . . 0.0 110.526 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.668 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.2 m120 -85.96 -13.16 48.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 110.575 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.98 -27.61 11.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.284 -0.885 . . . . 0.0 108.72 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.03 54.75 0.69 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.44 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.6 p -45.05 -99.14 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.513 -0.742 . . . . 0.0 111.15 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.431 ' N ' ' OG ' ' B' ' 41' ' ' SER . 72.7 m80 -114.52 -20.27 10.82 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.381 -0.825 . . . . 0.0 110.129 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.01 -39.52 86.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.004 -1.06 . . . . 0.0 108.603 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -116.03 -162.47 0.84 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER -60.28 135.64 57.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.95 -1.094 . . . . 0.0 110.415 -179.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 5.1 pt-20 -99.45 116.21 31.07 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.45 126.99 40.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 CA-C-O 121.942 0.877 . . . . 0.0 109.015 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -138.58 -15.15 1.23 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -123.33 153.96 39.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 110.33 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.58 -23.85 62.66 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -60.59 -42.13 96.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.3 -0.875 . . . . 0.0 110.175 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.9 -47.15 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.01 -41.11 85.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.831 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.92 -40.21 79.18 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.868 -1.133 . . . . 0.0 109.203 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.84 -40.0 76.1 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.012 0.911 . . . . 0.0 108.764 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.39 -39.54 78.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.625 ' O ' ' N ' ' B' ' 61' ' ' ASP . 51.1 mtp -70.54 -40.07 73.63 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.93 -34.04 76.62 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 95.0 m -69.91 -39.96 75.87 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.497 0.665 . . . . 0.0 110.094 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.05 -58.96 1.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' B' ' 57' ' ' MET . 94.6 m-20 -84.61 60.61 6.2 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.84 5.45 0.64 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.987 0.898 . . . . 0.0 108.609 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.7 m-20 -71.54 -34.93 70.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.97 10.61 83.75 Favored Glycine 0 N--CA 1.482 1.724 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.4 p-10 -78.3 -0.83 30.36 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.5 30.87 75.65 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.561 -2.215 . . . . 0.0 107.561 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -143.06 151.26 40.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.378 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.411 ' SG ' ' OD1' ' B' ' 61' ' ' ASP . 0.8 OUTLIER -125.36 116.07 21.31 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.286 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.83 165.61 22.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.122 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 27.0 p90 -55.09 -39.97 69.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.074 -1.016 . . . . 0.0 108.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.597 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.7 tt0 -62.97 -41.79 99.64 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.12 -0.988 . . . . 0.0 108.657 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.98 -39.98 75.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.554 -0.716 . . . . 0.0 110.69 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.89 -39.88 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.647 -1.283 . . . . 0.0 108.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -31.87 70.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.89 68.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.13 -42.17 94.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.381 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -43.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.6 t -63.73 -40.81 97.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.4 ttp -61.43 -45.3 94.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 110.593 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 t -82.56 -28.94 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.165 -0.959 . . . . 0.0 109.872 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 87.1 m -65.89 -39.89 91.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.108 -0.995 . . . . 0.0 109.067 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -72.65 -40.31 66.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.688 -0.632 . . . . 0.0 110.536 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.88 94.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.9 t -65.23 -44.38 88.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.087 -1.008 . . . . 0.0 109.551 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 54.6 t-80 -62.56 -40.2 96.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.333 -0.854 . . . . 0.0 110.299 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.35 -40.08 89.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.925 -1.11 . . . . 0.0 109.911 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--N 1.302 -1.464 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.688 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.736 ' H ' HD21 ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.444 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 56.6 tptt -60.9 -40.09 91.77 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.53 -40.04 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.559 -0.713 . . . . 0.0 111.564 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 59' ' ' THR . 6.9 mp . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.397 -1.439 . . . . 0.0 108.452 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.742 ' H ' HD21 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 55.9 tptt -60.68 -40.03 90.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.6 -40.05 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.511 -0.743 . . . . 0.0 111.478 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.3 mp -59.85 -39.84 86.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.239 -1.538 . . . . 0.0 108.586 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.3 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.51 -38.64 81.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 0.0 109.952 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.97 -25.22 67.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.915 -1.116 . . . . 0.0 110.644 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -49.8 76.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.894 -1.129 . . . . 0.0 110.553 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -69.85 -39.96 76.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.395 -1.441 . . . . 0.0 109.054 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.59 97.07 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.377 -0.827 . . . . 0.0 109.893 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.6 ttm -60.05 -42.7 95.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.637 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.9 -40.0 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.98 99.77 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.344 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.72 -40.15 94.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.954 -1.091 . . . . 0.0 109.459 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -41.63 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.859 . . . . 0.0 110.035 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.99 -39.98 75.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.701 -1.249 . . . . 0.0 110.098 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.01 -34.36 56.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.013 -1.055 . . . . 0.0 108.483 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -58.28 -49.59 76.61 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -77.11 -27.71 54.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.333 -0.854 . . . . 0.0 112.221 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.01 -40.36 88.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.59 -1.319 . . . . 0.0 111.558 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.51 -30.95 9.7 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.875 -1.141 . . . . 0.0 110.579 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -61.91 -44.14 97.39 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.922 -1.111 . . . . 0.0 111.158 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.53 81.39 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.91 -1.138 . . . . 0.0 110.497 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -69.98 -41.62 74.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.823 -1.398 . . . . 0.0 110.726 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 53.8 tp10 -164.6 158.7 18.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.109 -0.994 . . . . 0.0 109.138 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -158.77 46.38 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.54 130.51 42.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -1.092 . . . . 0.0 109.773 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.26 -40.01 78.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.478 -0.764 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -76.98 -20.39 56.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 0.0 112.01 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.02 158.66 38.99 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.899 -1.125 . . . . 0.0 110.424 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.85 120.08 41.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.665 . . . . 0.0 109.558 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HZ2' ' CB ' ' A' ' 30' ' ' SER . 27.2 ttpp -93.3 150.39 20.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' LYS . 26.7 ttmt -36.94 -42.91 0.42 Allowed 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.217 0.532 . . . . 0.0 110.428 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.503 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 99.8 p -62.86 -42.31 99.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -0.935 . . . . 0.0 110.167 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' HG ' ' A' ' 30' ' ' SER . 34.5 mt-10 -68.7 -40.06 80.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.973 -1.08 . . . . 0.0 108.524 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.45 -40.06 93.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.568 -0.708 . . . . 0.0 109.659 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.41 -40.05 85.41 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -65.19 -41.38 94.63 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.465 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.79 -49.96 75.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.655 -0.653 . . . . 0.0 110.013 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -80.93 -33.48 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.172 -0.955 . . . . 0.0 111.982 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 10.0 p-10 -77.27 -26.03 52.0 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.569 -1.957 . . . . 0.0 111.266 -177.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 3.7 m120 -108.97 -37.23 5.89 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 121.241 -0.912 . . . . 0.0 111.52 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 40' ' ' LEU . 2.8 tm-20 -82.31 -22.15 35.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.584 -1.323 . . . . 0.0 108.688 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' SER . 2.1 mm? -117.91 74.03 0.92 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' LEU . 4.2 m -59.91 -134.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.591 -0.693 . . . . 0.0 110.162 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.497 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 30.7 p-80 -91.02 -1.46 57.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 109.581 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.97 -40.97 90.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.37 -49.92 2.25 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.612 -0.68 . . . . 0.0 109.358 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.29 128.93 6.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.13 -0.981 . . . . 0.0 109.286 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -99.28 119.99 38.82 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -87.99 108.52 18.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-O 121.882 0.849 . . . . 0.0 109.541 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -13.75 8.6 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -123.65 148.55 46.36 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.676 0.75 . . . . 0.0 110.535 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.65 -20.43 61.26 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.21 -40.52 90.42 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.858 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.04 -50.07 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.4 t -59.98 -46.74 93.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.013 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.57 -42.62 99.66 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 120.781 -1.199 . . . . 0.0 109.402 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.08 -38.44 72.44 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -77.11 -32.45 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 121.796 0.808 . . . . 0.0 108.994 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -72.44 -40.38 67.09 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.19 -35.57 75.69 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -72.6 -24.15 61.04 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.511 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 tp -104.9 -45.85 4.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.245 -0.909 . . . . 0.0 108.925 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' MET . 22.7 t0 -75.17 53.2 0.62 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -66.56 6.45 0.46 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.771 0.796 . . . . 0.0 109.115 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.7 m-20 -91.42 -28.07 17.89 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.6 6.84 88.19 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 39.6 p-10 -91.28 4.15 53.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.617 -0.931 . . . . 0.0 109.134 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.56 28.44 72.31 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 99.5 mt-10 -145.57 159.76 42.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.462 -1.022 . . . . 0.0 110.065 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 123.23 26.16 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 48.1 p-10 -82.82 171.84 13.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.754 -1.216 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 36.0 p90 -53.21 -43.03 66.89 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.263 -0.898 . . . . 0.0 109.385 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 4.6 tp-100 -60.09 -41.51 92.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.26 -0.9 . . . . 0.0 109.275 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 31.0 mt-10 -67.13 -39.99 86.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -0.92 . . . . 0.0 110.059 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.09 -38.97 80.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 0.0 109.333 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.6 tpt -59.93 -34.79 73.7 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.798 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.08 68.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.031 -1.043 . . . . 0.0 110.22 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.39 -40.01 85.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.885 -1.134 . . . . 0.0 108.068 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -39.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -60.88 -46.61 89.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.84 -0.537 . . . . 0.0 111.491 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.422 ' O ' ' OG1' ' A' ' 82' ' ' THR . 17.4 ptt? -70.0 -39.85 75.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.692 -1.255 . . . . 0.0 110.084 -178.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.82 -34.81 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.976 -1.078 . . . . 0.0 108.474 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 67.3 m -62.8 -39.89 95.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.199 -0.938 . . . . 0.0 108.641 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 79' ' ' MET . 7.2 p -64.66 -40.01 94.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.818 . . . . 0.0 109.883 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.68 72.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.063 -1.023 . . . . 0.0 110.607 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 15.1 p -61.12 -41.0 95.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.157 -0.964 . . . . 0.0 109.95 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.542 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 54.4 t-80 -60.02 -40.73 90.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 109.701 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.65 -40.34 95.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.205 -0.934 . . . . 0.0 109.918 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 110.306 179.431 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.25 -38.61 81.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.478 -0.764 . . . . 0.0 110.066 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.8 -25.52 67.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.914 -1.116 . . . . 0.0 110.621 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.96 -49.72 76.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.919 -1.113 . . . . 0.0 110.602 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -69.94 -39.98 75.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.441 -1.412 . . . . 0.0 109.009 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 0.0 109.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.5 ttm -60.22 -42.57 95.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 109.685 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.92 -39.94 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.04 99.38 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.498 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.57 -39.91 95.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.208 . . . . 0.0 109.215 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.439 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 97.3 mt -61.64 -41.96 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.87 . . . . 0.0 110.064 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.07 -39.94 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.694 -1.254 . . . . 0.0 109.998 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.02 -34.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.021 -1.049 . . . . 0.0 108.473 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.87 -49.14 78.89 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.478 -0.763 . . . . 0.0 109.718 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -77.49 -27.45 51.93 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 0.0 112.156 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.05 -40.51 89.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.648 -1.283 . . . . 0.0 111.537 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.33 -31.48 9.53 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 120.904 -1.123 . . . . 0.0 110.612 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.2 t -61.69 -44.06 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.143 . . . . 0.0 111.134 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.19 81.56 Favored Glycine 0 N--CA 1.494 2.544 0 C-N-CA 119.883 -1.151 . . . . 0.0 110.517 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -69.96 -41.87 73.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.77 -1.429 . . . . 0.0 110.657 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 54.0 tp10 -164.34 158.68 18.95 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.011 . . . . 0.0 109.057 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 -158.93 45.59 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.68 130.77 42.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.371 -1.076 . . . . 0.0 109.675 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.37 -40.08 77.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.458 -0.776 . . . . 0.0 109.972 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -76.88 -20.12 56.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 0.0 112.091 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -130.12 158.45 39.62 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.865 -1.147 . . . . 0.0 110.382 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.72 120.13 41.18 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.649 -0.657 . . . . 0.0 109.525 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.516 ' HZ2' ' CB ' ' B' ' 30' ' ' SER . 27.6 ttpp -93.14 150.57 20.41 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.321 -0.862 . . . . 0.0 109.205 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 28' ' ' LYS . 28.4 ttmt -37.04 -43.29 0.46 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.216 0.531 . . . . 0.0 110.363 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.516 ' CB ' ' HZ2' ' B' ' 28' ' ' LYS . 98.8 p -62.68 -42.24 99.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.12 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' B' ' 30' ' ' SER . 35.8 mt-10 -68.72 -39.97 80.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.027 -1.046 . . . . 0.0 108.537 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.72 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.65 -39.94 86.05 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.28 -41.17 94.46 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.146 -1.022 . . . . 0.0 108.427 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 tp -60.75 -50.18 74.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.661 -0.649 . . . . 0.0 109.88 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.44 -33.92 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.227 -0.92 . . . . 0.0 112.04 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.576 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 9.4 p-10 -77.01 -26.08 53.42 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.472 -2.018 . . . . 0.0 111.341 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.576 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 3.7 m120 -109.01 -37.16 5.9 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.201 -0.937 . . . . 0.0 111.582 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' CD2' ' B' ' 40' ' ' LEU . 2.7 tm-20 -82.4 -21.96 35.59 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.643 -1.286 . . . . 0.0 108.655 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' B' ' 41' ' ' SER . 2.4 mm? -117.86 73.83 0.91 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.8 m -59.75 -134.76 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.17 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.466 ' H ' ' HD1' ' B' ' 42' ' ' HIS . 32.6 p-80 -90.72 -1.51 57.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.98 -1.075 . . . . 0.0 109.633 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.04 -40.99 91.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.92 . . . . 0.0 109.629 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -120.04 -50.63 2.26 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.639 -0.663 . . . . 0.0 109.346 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.38 129.31 7.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.193 -0.942 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -99.47 119.77 38.54 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.422 HG22 HD12 ' B' ' 47' ' ' ILE . 32.6 mm -88.03 108.33 18.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 121.904 0.859 . . . . 0.0 109.376 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -13.89 8.73 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -123.53 148.55 46.2 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.679 0.752 . . . . 0.0 110.594 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.33 -20.62 61.45 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.06 -40.42 89.41 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.068 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.12 -50.01 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -60.12 -46.54 94.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -62.92 -42.59 99.85 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.434 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.12 -38.32 72.31 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 109.274 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.7 t -77.08 -32.36 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.798 0.808 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.57 ' N ' ' O ' ' B' ' 53' ' ' VAL . 10.1 tpt -72.58 -40.43 66.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.43 -35.23 75.33 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.8 m -72.78 -23.94 60.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.549 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' B' ' 62' ' ' GLU . 20.0 tp -105.04 -45.81 4.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.284 -0.885 . . . . 0.0 108.822 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.572 ' C ' ' H ' ' B' ' 63' ' ' ASP . 23.0 t0 -75.08 53.21 0.6 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' B' ' 60' ' ' LEU . 26.9 tp10 -66.61 6.5 0.46 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.762 0.791 . . . . 0.0 109.087 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.572 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -91.46 -28.2 17.79 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.07 6.34 88.31 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.6 p-10 -91.14 4.24 52.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.492 -1.005 . . . . 0.0 109.165 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.46 28.47 72.4 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 99.6 mt-10 -145.51 159.93 42.37 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -1.04 . . . . 0.0 110.11 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.95 123.15 25.39 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 47.5 p-10 -82.55 171.74 13.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.855 -1.153 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 36.8 p90 -53.23 -42.89 66.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.427 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 4.7 tp-100 -60.31 -41.02 92.58 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.197 -0.939 . . . . 0.0 109.344 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 30.4 mt-10 -67.2 -39.93 86.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.121 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.58 -38.87 82.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.993 -1.067 . . . . 0.0 109.336 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.8 tpt -59.93 -34.63 73.49 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 119.194 -1.002 . . . . 0.0 108.832 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.3 69.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 110.189 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.45 -39.95 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.903 -1.123 . . . . 0.0 108.146 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -38.49 79.12 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.07 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.543 ' HG ' ' N ' ' B' ' 79' ' ' MET . 16.9 p -61.5 -46.24 90.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.79 -0.569 . . . . 0.0 111.459 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.543 ' N ' ' HG ' ' B' ' 78' ' ' SER . 16.5 ptt? -70.19 -40.01 74.86 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.497 -1.281 . . . . 0.0 110.046 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 t -72.81 -34.56 47.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.951 -1.093 . . . . 0.0 108.593 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.502 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 81.7 m -62.79 -39.86 95.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.105 -0.997 . . . . 0.0 108.578 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 79' ' ' MET . 9.7 p -64.52 -39.97 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.0 109.99 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.67 72.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 110.505 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 15.1 p -60.92 -41.12 95.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.08 -1.012 . . . . 0.0 109.839 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.552 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 54.7 t-80 -60.14 -41.04 91.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.645 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.98 -40.68 96.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.0 110.152 179.56 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.668 ' N ' HD21 ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' X' ' 8' ' ' ASN . 13.9 mptt -67.28 -40.08 86.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 108.963 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.417 HD13 HG23 ' X' ' 10' ' ' ILE . 75.6 mt -61.7 -45.03 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.088 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--N 1.299 -1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.487 -178.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.664 ' N ' HD21 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' Y' ' 8' ' ' ASN . 13.9 mptt -67.94 -39.98 83.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.945 . . . . 0.0 108.959 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.447 HD11 HG22 ' Y' ' 10' ' ' ILE . 75.7 mt -61.51 -45.21 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.972 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.97 -39.95 87.4 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.0 109.564 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.81 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.31 -40.03 89.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 108.872 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.97 -22.73 62.9 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.122 -0.986 . . . . 0.0 110.705 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.04 -51.79 68.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.816 -1.178 . . . . 0.0 110.405 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.67 -33.66 66.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.757 -1.214 . . . . 0.0 108.77 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.01 94.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.0 ttm -60.4 -40.04 89.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.294 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.01 -40.08 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.17 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.318 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.16 -40.32 95.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.038 -1.039 . . . . 0.0 109.403 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.07 -47.19 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.031 -1.043 . . . . 0.0 109.561 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.99 -40.02 75.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.822 -1.174 . . . . 0.0 109.867 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.94 -36.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.99 -48.54 81.28 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.435 -0.791 . . . . 0.0 109.551 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -70.0 -31.87 69.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.58 -0.7 . . . . 0.0 111.718 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.99 -43.94 94.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.925 -1.109 . . . . 0.0 111.155 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 97.5 m-85 -94.47 -31.04 14.13 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.816 -1.177 . . . . 0.0 110.346 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 45.5 t -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 109.285 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.51 2.86 65.43 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.235 -1.156 . . . . 0.0 108.912 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' GLY . 81.1 tt0 -144.52 168.67 19.58 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -51.0 -173.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.024 -1.231 . . . . 0.0 110.024 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 26' ' ' LYS . 74.0 m-20 56.45 52.46 9.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.318 -1.107 . . . . 0.0 108.913 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' OG ' ' A' ' 18' ' ' SER . 97.9 mttt -60.03 -32.5 70.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.445 -0.785 . . . . 0.0 110.336 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.97 -19.94 62.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 110.371 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.3 mttt -129.71 153.37 48.23 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.198 -0.939 . . . . 0.0 109.668 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.4 mt -113.41 128.75 56.56 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LYS . 38.0 ttpt -92.81 156.52 16.94 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 33.7 mtmt -42.77 -42.0 3.41 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.318 -0.864 . . . . 0.0 109.842 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -63.55 -40.03 95.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.277 -0.889 . . . . 0.0 109.726 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.76 -39.96 76.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.057 -1.027 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -70.02 -29.01 65.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.052 -1.03 . . . . 0.0 108.7 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.56 -40.04 81.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.236 -0.915 . . . . 0.0 108.611 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -57.9 -53.79 54.27 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.939 0.876 . . . . 0.0 108.949 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.97 -42.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.205 -0.935 . . . . 0.0 112.273 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' C ' HD21 ' A' ' 38' ' ' ASN . 39.4 t30 -73.6 -30.18 62.84 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.157 -1.589 . . . . 0.0 111.537 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.707 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.0 OUTLIER -90.94 -17.2 26.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.031 -1.043 . . . . 0.0 110.666 -177.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.6 -30.09 8.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.7 mt -113.32 32.41 5.78 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.282 -0.886 . . . . 0.0 108.727 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' LEU . 68.5 m -43.44 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.321 -0.862 . . . . 0.0 111.035 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -101.99 -16.7 16.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.202 -0.936 . . . . 0.0 110.27 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.32 -30.03 70.83 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.186 -0.947 . . . . 0.0 109.147 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -141.6 -158.82 0.9 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.359 -0.838 . . . . 0.0 108.85 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 1.1 tm-20 -49.26 138.47 12.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.027 -1.046 . . . . 0.0 109.854 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 17.5 pt-20 -103.68 128.24 51.04 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.455 HG21 HD12 ' A' ' 47' ' ' ILE . 44.4 mm -94.49 112.86 27.89 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.964 0.887 . . . . 0.0 110.035 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 -12.37 6.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.8 tp10 -124.19 140.05 53.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -66.9 -21.81 65.98 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.056 -1.027 . . . . 0.0 110.134 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.9 pt-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.329 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 56' ' ' VAL . 29.8 t -61.52 -50.01 82.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.31 -42.47 90.78 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.037 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.156 -1.018 . . . . 0.0 108.968 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -68.01 -39.47 83.19 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' VAL . 44.3 t -70.02 -36.74 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 62.2 mmm -70.54 -39.9 73.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.07 -26.93 65.05 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -71.78 -38.44 70.31 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.403 0.621 . . . . 0.0 109.469 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.55 -60.41 1.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.1 t0 -74.86 57.15 0.77 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.21 2.76 1.44 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.6 m-20 -76.7 -32.11 57.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 10.62 79.26 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 54.5 p-10 -83.75 2.84 36.01 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.57 33.84 86.34 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.7 tp10 -142.27 143.04 32.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.569 -0.959 . . . . 0.0 110.373 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 t -126.72 124.44 39.78 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 41.0 p-10 -88.49 172.82 9.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 108.851 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 29.5 p90 -58.3 -40.03 80.89 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.089 -1.007 . . . . 0.0 109.179 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 54.6 tt0 -60.04 -42.64 94.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.132 -0.98 . . . . 0.0 109.401 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 81.5 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.988 -1.07 . . . . 0.0 109.971 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.28 -39.91 88.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.266 -0.896 . . . . 0.0 109.954 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.0 mmm -60.02 -34.8 73.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 0.0 108.905 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -27.91 68.19 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.99 -41.66 92.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.998 -1.064 . . . . 0.0 108.638 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.57 -44.15 98.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 t -60.05 -47.89 83.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.489 0.662 . . . . 0.0 109.442 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.18 -45.11 95.94 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.767 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.85 -29.61 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.78 -1.2 . . . . 0.0 108.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 73.1 m -67.59 -40.0 84.81 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -67.58 -40.03 84.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.62 -0.675 . . . . 0.0 109.845 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.36 98.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.859 -1.151 . . . . 0.0 109.192 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 55.9 m -64.84 -47.13 79.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.324 -0.86 . . . . 0.0 109.041 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -60.03 -40.9 90.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.754 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.9 -39.99 91.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.302 -1.482 0 O-C-N 120.912 -1.118 . . . . 0.0 108.499 179.789 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.172 0.511 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.4 -39.96 89.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.945 . . . . 0.0 108.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.05 -22.75 63.08 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 110.691 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.9 -51.96 67.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 110.446 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.61 66.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.724 -1.235 . . . . 0.0 108.785 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.2 95.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -0.847 . . . . 0.0 109.484 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.15 -40.07 88.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.081 -1.012 . . . . 0.0 109.335 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.94 -40.33 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.58 86.42 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.95 -40.2 94.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.412 HG21 HD12 ' B' ' 11' ' ' ILE . 96.9 mt -62.21 -46.95 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.008 -1.058 . . . . 0.0 109.606 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.788 -1.195 . . . . 0.0 109.933 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.01 -36.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.98 -48.67 80.77 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.546 -0.721 . . . . 0.0 109.517 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -70.0 -31.7 69.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.633 -0.667 . . . . 0.0 111.723 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -44.19 94.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.112 . . . . 0.0 111.045 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.406 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 97.4 m-85 -94.33 -30.86 14.3 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.81 -1.181 . . . . 0.0 110.437 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 45.1 t -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.62 3.0 65.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -1.168 . . . . 0.0 108.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLY . 81.1 tt0 -144.42 168.5 19.95 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -50.75 -173.44 0.01 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.8 m-20 56.18 52.23 10.59 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -1.099 . . . . 0.0 109.045 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.414 ' O ' ' OG ' ' B' ' 18' ' ' SER . 97.8 mttt -59.98 -32.19 70.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.11 -19.92 62.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.121 -0.987 . . . . 0.0 110.328 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 23' ' ' ASP . 99.0 mttt -129.79 153.41 48.26 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.152 -0.968 . . . . 0.0 109.703 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -113.54 128.64 56.51 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' B' ' 29' ' ' LYS . 38.0 ttpt -92.61 156.52 17.05 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 33.4 mtmt -43.02 -41.73 3.56 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.303 -0.873 . . . . 0.0 109.773 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -63.64 -40.03 95.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.721 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.96 -29.06 66.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.065 -1.022 . . . . 0.0 108.714 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.63 -40.04 82.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -65.57 -39.98 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -57.81 -53.81 54.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.899 0.856 . . . . 0.0 108.956 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.04 -42.61 79.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.272 -0.892 . . . . 0.0 112.308 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.469 ' C ' HD21 ' B' ' 38' ' ' ASN . 39.1 t30 -74.06 -29.99 62.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.155 -1.591 . . . . 0.0 111.431 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.732 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.9 OUTLIER -90.94 -17.2 26.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.022 -1.049 . . . . 0.0 110.605 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.55 -30.12 8.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 109.399 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -113.27 32.35 5.82 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.24 -0.912 . . . . 0.0 108.779 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -43.18 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.312 -0.868 . . . . 0.0 111.092 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.21 -16.27 16.39 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.14 -0.975 . . . . 0.0 110.287 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.85 -30.07 70.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.047 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.37 -158.83 0.9 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 1.1 tm-20 -49.21 138.26 12.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.977 -1.077 . . . . 0.0 109.837 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 17.6 pt-20 -103.52 128.27 50.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.413 HG23 HD13 ' B' ' 47' ' ' ILE . 48.3 mm -94.6 112.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.212 0 CA-C-O 121.941 0.877 . . . . 0.0 110.17 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -12.11 6.79 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.5 tp10 -124.3 139.98 53.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -67.15 -21.8 65.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 110.078 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.8 pt-20 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -0.876 . . . . 0.0 109.317 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' B' ' 56' ' ' VAL . 34.2 t -61.69 -49.98 82.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.27 -42.33 90.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.043 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -68.36 -45.1 73.71 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.893 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -67.69 -39.32 84.45 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 52' ' ' VAL . 42.2 t -69.98 -37.01 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.34 -40.0 74.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.03 -26.45 64.58 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -72.18 -38.59 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.42 0.629 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.22 -60.85 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.8 t0 -74.57 57.23 0.72 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.28 2.57 1.58 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.8 m-20 -76.42 -31.99 58.24 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.43 10.57 79.6 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.631 -2.187 . . . . 0.0 107.631 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.4 p-10 -83.64 2.49 37.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.89 33.36 85.18 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.7 tp10 -141.83 143.21 33.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.626 -0.926 . . . . 0.0 110.359 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.05 124.58 39.63 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 41.2 p-10 -88.43 172.88 9.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 108.796 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.9 p90 -58.31 -40.27 81.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 109.225 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 55.2 tt0 -59.96 -42.68 94.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 109.396 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 81.2 mt-10 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.948 -1.095 . . . . 0.0 109.928 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.17 -40.02 88.47 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.98 -34.64 73.58 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.032 . . . . 0.0 109.054 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.88 67.99 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 109.648 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.98 -41.76 92.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.962 -1.086 . . . . 0.0 108.589 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -61.54 -44.1 98.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -60.09 -47.74 84.61 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.503 0.668 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.7 ttp -61.23 -45.22 95.44 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.437 -0.789 . . . . 0.0 110.741 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -79.85 -29.16 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.767 -1.208 . . . . 0.0 108.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' B' ' 77' ' ' VAL . 73.7 m -68.01 -40.04 83.07 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.0 p -67.34 -40.13 85.86 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.728 -0.607 . . . . 0.0 109.797 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.32 98.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.863 -1.148 . . . . 0.0 109.23 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 47.2 m -64.94 -46.95 79.43 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.29 -0.881 . . . . 0.0 109.02 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.804 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.79 -39.95 90.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.302 -1.477 0 O-C-N 120.905 -1.122 . . . . 0.0 108.523 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -62.89 -40.03 96.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 108.884 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.74 -40.1 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.47 -0.769 . . . . 0.0 110.944 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.301 -1.516 0 O-C-N 121.036 -1.04 . . . . 0.0 109.068 -178.351 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -62.87 -39.99 96.13 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 108.869 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.83 -40.14 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.486 -0.759 . . . . 0.0 110.989 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.896 -1.127 . . . . 0.0 109.233 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.3 -1.563 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.544 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.208 0.528 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.2 -39.61 95.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.203 -0.936 . . . . 0.0 108.96 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.42 -27.0 68.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.957 -1.089 . . . . 0.0 110.344 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 86.4 tt0 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.997 -1.064 . . . . 0.0 110.556 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.95 -39.2 79.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.776 -1.203 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.27 97.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.206 -0.934 . . . . 0.0 109.955 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.95 -42.74 94.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.907 -1.12 . . . . 0.0 109.365 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.96 -40.02 81.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.25 94.24 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.634 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.87 -40.43 95.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.805 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.11 -45.03 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.0 109.727 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -70.02 -40.07 75.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.085 -1.01 . . . . 0.0 110.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -57.97 -34.15 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 74.8 t80 -60.01 -47.15 87.02 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.234 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.15 -37.83 75.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.565 -0.71 . . . . 0.0 112.305 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.96 -42.03 93.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.784 -1.197 . . . . 0.0 112.349 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.16 -33.78 11.92 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.661 -1.274 . . . . 0.0 110.83 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.3 p -60.57 -40.0 90.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.818 -1.176 . . . . 0.0 110.198 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 4.02 64.57 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -60.01 -47.53 85.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -1.173 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 91.6 mt-10 -150.03 165.14 33.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.083 -1.011 . . . . 0.0 110.192 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.01 -156.13 1.51 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -79.47 146.35 32.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -1.024 . . . . 0.0 109.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -79.92 -9.11 59.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.31 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.18 -25.67 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.955 -1.091 . . . . 0.0 110.99 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -131.39 153.9 49.19 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.095 -1.003 . . . . 0.0 110.07 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -115.33 126.31 54.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.522 -0.736 . . . . 0.0 109.672 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.6 tttp -96.64 152.14 18.93 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.177 -0.952 . . . . 0.0 108.86 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 10.3 ttmm -35.29 -49.86 0.52 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.915 -0.491 . . . . 0.0 110.668 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -60.76 -40.44 92.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.946 -1.097 . . . . 0.0 110.452 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.0 mt-10 -70.04 -40.0 75.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.705 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' LEU . 13.7 tp -64.85 -40.02 94.49 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.874 -1.141 . . . . 0.0 108.15 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -48.91 -40.91 31.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 0.0 108.74 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -62.27 -40.77 97.31 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.05 -47.7 84.77 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.98 -48.74 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 111.606 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 42.0 p30 -74.94 -21.29 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.249 -1.532 . . . . 0.0 111.897 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.576 ' C ' HD21 ' A' ' 38' ' ' ASN . 0.1 OUTLIER -91.06 -52.09 5.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.868 -1.145 . . . . 0.0 111.132 -178.688 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -85.49 -39.97 16.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.033 -1.042 . . . . 0.0 111.51 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 1.8 mm? -97.85 24.52 6.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.273 -0.892 . . . . 0.0 108.753 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 40' ' ' LEU . 48.9 m -41.73 -103.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.487 0.66 . . . . 0.0 111.775 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 49.9 t-80 -97.28 -8.26 30.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.952 -1.093 . . . . 0.0 110.11 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.517 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 68.1 m-85 -65.84 -38.73 89.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 110.085 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -126.75 -57.17 1.36 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.388 -0.82 . . . . 0.0 110.119 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' LEU . 9.1 tm-20 -143.22 125.11 15.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.006 -1.059 . . . . 0.0 110.06 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -90.07 119.97 30.87 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 mm -88.79 120.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.415 1.102 . . . . 0.0 109.864 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -127.36 -19.17 4.31 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -121.71 146.52 46.95 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.718 . . . . 0.0 110.482 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.99 -20.03 63.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.4 pt-20 -60.02 -41.87 93.09 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.551 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 1.6 t -61.3 -50.07 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.3 t -61.11 -47.94 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.111 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.38 -44.25 95.81 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.934 -1.104 . . . . 0.0 109.571 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -70.01 -39.8 75.61 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.83 -33.74 38.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-O 121.698 0.761 . . . . 0.0 109.092 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.4 tpt -71.4 -42.88 67.78 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.44 -31.14 71.08 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 m -64.2 -29.06 70.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 62' ' ' GLU . 28.7 mt -106.56 -40.32 5.59 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' C ' ' H ' ' A' ' 63' ' ' ASP . 15.3 t0 -74.71 49.95 0.42 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 60' ' ' LEU . 74.8 mm-40 -67.88 8.65 0.37 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 61' ' ' ASP . 93.8 m-20 -92.29 -24.15 19.06 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.01 6.32 89.55 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 40.0 p-10 -93.78 7.56 44.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.039 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.16 37.15 91.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.11 155.6 44.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.372 -1.075 . . . . 0.0 110.04 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.9 t -131.64 118.8 20.54 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -85.76 170.85 12.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 110.201 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -47.41 -48.04 26.4 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.74 -39.99 95.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.295 -0.878 . . . . 0.0 109.853 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 47.0 mt-10 -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.995 . . . . 0.0 109.986 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 11.8 t80 -69.92 -37.37 75.91 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.02 -32.46 70.9 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.34 65.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.12 -0.988 . . . . 0.0 109.281 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.98 -40.32 88.7 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -64.14 -47.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -60.07 -48.87 79.93 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.417 0.627 . . . . 0.0 110.281 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 79' ' ' MET . 13.8 tmm? -63.34 -42.13 98.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.571 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.0 t -81.16 -29.65 11.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.989 -1.069 . . . . 0.0 109.174 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 53.9 m -65.44 -40.02 92.75 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.946 -1.096 . . . . 0.0 108.434 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 p -70.19 -39.51 75.18 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.605 -0.684 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.76 91.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.978 -1.076 . . . . 0.0 110.426 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.8 p -66.8 -44.41 81.3 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.666 -1.271 . . . . 0.0 108.564 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -61.38 -40.36 94.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 109.613 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.0 -15.74 61.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.069 . . . . 0.0 109.636 -179.817 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.12 -39.94 96.15 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.199 -0.938 . . . . 0.0 109.014 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.32 -26.87 68.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 110.309 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.517 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.5 tt0 -60.03 -49.99 75.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.005 -1.059 . . . . 0.0 110.583 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -68.95 -39.41 79.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.736 -1.228 . . . . 0.0 109.594 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.52 98.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.28 -0.888 . . . . 0.0 110.029 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.5 ttm -60.01 -42.71 94.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.88 -1.137 . . . . 0.0 109.427 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -40.0 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.05 95.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.621 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.26 -40.21 95.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.945 . . . . 0.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.47 -44.85 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.194 -0.941 . . . . 0.0 109.664 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -69.98 -40.0 75.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.115 -0.991 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.96 -34.33 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.968 -1.083 . . . . 0.0 108.154 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 74.8 t80 -60.05 -47.07 87.38 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.168 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.16 -37.85 75.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.511 -0.743 . . . . 0.0 112.259 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.03 -41.93 93.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.73 -1.231 . . . . 0.0 112.353 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.19 -33.69 11.93 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.695 -1.253 . . . . 0.0 110.842 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -60.63 -40.01 90.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.883 -1.136 . . . . 0.0 110.124 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.34 4.06 64.78 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -60.02 -47.49 85.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.284 -1.127 . . . . 0.0 109.471 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 91.6 mt-10 -150.0 165.1 33.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.002 -1.061 . . . . 0.0 110.216 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.94 -155.98 1.52 Allowed Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.54 146.23 32.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -1.059 . . . . 0.0 109.532 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -79.97 -9.03 59.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 110.203 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.13 -25.68 60.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.95 -1.094 . . . . 0.0 111.012 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -131.41 153.88 49.24 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.053 -1.03 . . . . 0.0 110.02 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.8 mt -115.35 126.32 54.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.573 -0.704 . . . . 0.0 109.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' B' ' 29' ' ' LYS . 25.1 tttp -96.7 152.07 19.02 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.191 -0.943 . . . . 0.0 108.82 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 28' ' ' LYS . 10.7 ttmm -35.12 -49.92 0.49 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.963 -0.461 . . . . 0.0 110.72 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.68 -40.46 92.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.934 -1.103 . . . . 0.0 110.445 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 28' ' ' LYS . 97.9 mt-10 -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 109.762 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' B' ' 35' ' ' LEU . 13.1 tp -64.87 -40.01 94.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.977 -1.077 . . . . 0.0 108.189 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -48.93 -40.82 31.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.922 . . . . 0.0 108.807 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -62.26 -40.71 97.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -60.04 -47.66 84.95 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.15 -48.61 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.909 -1.12 . . . . 0.0 111.548 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 42.1 p30 -75.13 -21.27 58.96 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.286 -1.508 . . . . 0.0 111.805 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.568 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.1 OUTLIER -91.07 -52.09 5.01 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.875 -1.14 . . . . 0.0 111.006 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.49 -39.96 16.88 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.007 -1.058 . . . . 0.0 111.589 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.9 mm? -97.8 24.41 6.89 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.285 -0.884 . . . . 0.0 108.753 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.475 ' O ' ' O ' ' B' ' 40' ' ' LEU . 50.6 m -41.81 -103.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.423 0.63 . . . . 0.0 111.805 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' B' ' 42' ' ' HIS . 49.8 t-80 -97.14 -8.16 30.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.985 -1.072 . . . . 0.0 110.113 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 68.0 m-85 -66.06 -38.44 88.32 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.063 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -127.07 -57.17 1.32 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.168 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 40' ' ' LEU . 9.0 tm-20 -142.92 125.02 15.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.961 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -90.13 120.02 30.95 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.9 mm -88.7 119.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-O 122.431 1.11 . . . . 0.0 109.966 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.587 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -127.35 -19.13 4.32 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -121.8 146.6 46.91 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.64 0.733 . . . . 0.0 110.388 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.01 -20.0 63.29 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.512 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 1.6 t -61.2 -50.11 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -61.05 -48.09 90.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.131 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.36 -44.31 95.69 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.889 -1.132 . . . . 0.0 109.557 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 59' ' ' THR . 79.3 mttt -69.99 -39.69 75.75 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.981 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.72 -33.98 39.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 121.608 0.718 . . . . 0.0 109.089 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.556 ' N ' ' O ' ' B' ' 53' ' ' VAL . 13.6 tpt -71.22 -42.94 68.27 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.42 -31.15 71.07 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 9.6 m -64.22 -29.01 70.14 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 34.8 mt -106.52 -40.46 5.56 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' ASP . 15.3 t0 -74.83 50.04 0.44 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 60' ' ' LEU . 74.6 mm-40 -67.95 8.76 0.36 Allowed 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.9 m-20 -92.44 -24.16 18.92 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.99 6.23 89.61 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 40.2 p-10 -93.74 7.67 43.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -1.05 . . . . 0.0 109.025 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.407 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.01 37.2 91.89 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.97 155.45 44.04 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.404 -1.056 . . . . 0.0 110.112 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.3 t -131.53 118.88 20.75 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.83 170.83 12.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.071 -1.018 . . . . 0.0 110.197 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.632 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -47.4 -48.12 26.28 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.77 -39.99 95.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.769 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.8 mt-10 -69.99 -41.59 74.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.1 -1.0 . . . . 0.0 109.956 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.593 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 12.2 t80 -69.65 -37.53 76.78 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 18.4 tpt -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.39 65.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.373 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.18 -48.06 87.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.3 p -60.03 -49.07 79.11 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.418 0.628 . . . . 0.0 110.271 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 79' ' ' MET . 13.7 tmm? -63.37 -41.95 98.83 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 110.589 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 t -81.22 -29.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.07 -1.019 . . . . 0.0 109.096 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 51.7 m -65.34 -39.94 93.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.031 -1.043 . . . . 0.0 108.499 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -70.38 -39.37 74.59 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.677 -0.639 . . . . 0.0 109.968 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.88 91.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.933 -1.104 . . . . 0.0 110.349 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 -44.65 81.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.727 -1.233 . . . . 0.0 108.57 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -61.12 -40.63 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 0.0 109.566 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.89 -15.66 61.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 120.905 -1.122 . . . . 0.0 109.616 -179.784 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.677 ' ND2' ' H ' ' X' ' 8' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.36 -40.42 97.22 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.05 -40.12 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.848 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.298 -1.64 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.695 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -63.48 -40.23 96.57 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -63.17 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.791 . . . . 0.0 109.886 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -39.35 85.63 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.28 179.505 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.369 0.604 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.35 -40.01 89.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.0 -31.78 70.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.088 -1.008 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' OE2' ' CG ' ' B' ' 43' ' ' PHE . 86.3 tt0 -60.0 -51.77 68.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.64 72.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.654 -1.278 . . . . 0.0 109.09 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.99 96.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.362 -0.836 . . . . 0.0 109.305 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.1 ttm -60.06 -38.43 82.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.491 -0.755 . . . . 0.0 109.675 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.87 -39.97 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.02 99.52 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.68 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.27 -39.98 96.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.285 -0.884 . . . . 0.0 110.004 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.45 -40.06 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.089 -1.007 . . . . 0.0 109.605 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -70.06 -39.56 75.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.981 -1.074 . . . . 0.0 109.512 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.3 -37.97 72.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -54.17 -50.03 67.94 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.028 -1.045 . . . . 0.0 109.729 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.877 ' NE2' ' HZ1' ' A' ' 24' ' ' LYS . 35.2 t-80 -79.06 -24.67 43.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.273 -0.892 . . . . 0.0 111.29 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.99 -44.53 94.44 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.045 -1.035 . . . . 0.0 111.62 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' OH ' ' CG ' ' A' ' 73' ' ' PHE . 31.8 p90 -105.33 -29.32 10.35 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.893 -1.129 . . . . 0.0 111.157 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 t -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.841 -1.162 . . . . 0.0 109.858 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.47 64.1 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 20' ' ' ARG . 36.1 ttt-85 -62.17 -47.73 83.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.879 -1.365 . . . . 0.0 109.233 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 95.5 mt-10 -149.84 159.98 43.94 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.402 -0.811 . . . . 0.0 109.495 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.0 -171.02 32.35 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -81.96 158.08 24.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.44 -1.036 . . . . 0.0 109.386 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.877 ' HZ1' ' NE2' ' A' ' 15' ' ' HIS . 49.1 mtpt -80.0 -10.34 59.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.03 -35.7 64.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.512 -0.742 . . . . 0.0 110.665 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -130.03 157.96 40.92 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.242 -0.911 . . . . 0.0 110.58 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -119.58 126.29 50.84 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -84.72 158.58 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 108.909 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -50.92 -37.31 43.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.736 -1.227 . . . . 0.0 108.439 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.603 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 79.2 p -62.89 -42.82 99.91 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.385 -0.822 . . . . 0.0 109.703 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.603 ' N ' ' HG ' ' A' ' 30' ' ' SER . 84.7 mt-10 -70.0 -40.01 75.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.78 -32.75 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 0.0 108.204 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.07 -40.05 84.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -65.89 -41.51 91.44 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 2.9 tm? -60.02 -50.0 75.44 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.624 -0.672 . . . . 0.0 109.488 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.01 -40.19 67.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.594 -1.316 . . . . 0.0 110.692 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.677 HD21 ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.57 -25.47 57.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.351 -1.468 . . . . 0.0 110.697 -178.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.677 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -89.71 -30.02 18.34 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.923 -1.111 . . . . 0.0 111.061 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 13.8 mp0 -95.53 -20.07 19.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.218 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 41' ' ' SER . 14.1 mt -112.89 56.97 0.67 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.102 -0.999 . . . . 0.0 108.465 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 40' ' ' LEU . 22.7 t -49.07 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -111.93 -4.03 14.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.359 -0.838 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 87.0 m-85 -69.99 -29.97 67.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.392 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.52 -159.32 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 138.38 11.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.117 -0.989 . . . . 0.0 110.261 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 41' ' ' SER . 18.0 tp10 -99.62 120.13 39.18 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.6 mm -92.84 118.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 122.197 0.999 . . . . 0.0 109.464 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.76 -10.77 1.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -122.93 149.35 44.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.631 -0.668 . . . . 0.0 110.0 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.2 -22.79 62.89 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 8.2 pt-20 -60.03 -43.12 95.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.484 -0.76 . . . . 0.0 110.478 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 36.3 t -63.66 -46.86 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' MET . 39.6 t -59.99 -45.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.726 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -61.95 -46.89 87.31 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.618 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -69.38 -38.5 78.05 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.74 -36.79 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.1 mmm -70.02 -41.03 74.85 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.15 -31.05 71.49 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.334 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.26 -54.39 2.62 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' MET . 27.7 t0 -82.29 58.22 3.96 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.74 2.07 2.14 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.997 0.903 . . . . 0.0 108.743 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -73.67 -34.02 64.73 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 10.05 84.2 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 106.896 -2.481 . . . . 0.0 106.896 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.2 p-10 -79.65 1.4 26.39 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.93 76.58 Favored Glycine 0 N--CA 1.485 1.921 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.2 mt-10 -142.88 153.48 43.19 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.513 -0.993 . . . . 0.0 110.171 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 1.3 t -130.05 123.04 29.54 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -81.17 165.45 21.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.111 -0.993 . . . . 0.0 109.173 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 2.0 p90 -52.64 -40.02 62.35 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.025 -1.047 . . . . 0.0 108.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.25 -40.7 97.05 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.08 -1.012 . . . . 0.0 109.494 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -70.12 -40.32 74.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.981 -1.074 . . . . 0.0 109.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.513 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.7 t80 -65.93 -39.99 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.2 -32.62 71.26 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.78 65.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.291 -0.881 . . . . 0.0 110.305 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.88 -40.68 89.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.883 -1.135 . . . . 0.0 108.248 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.438 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.8 OUTLIER -62.13 -49.78 82.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 108.467 179.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 79' ' ' MET . 78.9 p -63.67 -41.97 98.11 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.413 0.625 . . . . 0.0 109.932 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.453 ' H ' ' HG ' ' A' ' 78' ' ' SER . 60.5 ttp -60.96 -45.17 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.823 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 t -80.04 -28.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.325 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 97.1 m -60.48 -40.05 89.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.766 -1.209 . . . . 0.0 109.132 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -67.27 -39.98 86.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.606 -0.684 . . . . 0.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.13 93.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.272 -0.893 . . . . 0.0 109.703 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.48 -40.02 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.118 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.425 -0.797 . . . . 0.0 109.912 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.045 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.299 -1.588 0 O-C-N 121.114 -0.991 . . . . 0.0 109.037 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.333 0.587 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.05 88.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.282 -0.886 . . . . 0.0 109.308 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.04 -31.69 70.21 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.046 -1.034 . . . . 0.0 110.763 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE2' ' CG ' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.05 -51.78 68.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.966 -1.084 . . . . 0.0 110.733 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.9 72.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.645 -1.285 . . . . 0.0 109.051 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.0 95.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.366 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.98 -38.49 82.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.45 -0.781 . . . . 0.0 109.662 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.89 -39.96 81.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.29 99.59 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.651 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -40.0 96.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.888 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.41 -40.07 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 0.0 109.6 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.99 -39.55 75.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.049 -1.032 . . . . 0.0 109.455 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.28 -38.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -53.78 -49.98 67.08 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.07 -1.019 . . . . 0.0 109.799 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.695 ' HE2' ' HZ3' ' B' ' 24' ' ' LYS . 35.3 t-80 -79.09 -24.72 43.26 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.224 -0.923 . . . . 0.0 111.339 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.96 -44.51 94.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.101 -0.999 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.51 ' OH ' ' CG ' ' B' ' 73' ' ' PHE . 32.3 p90 -105.31 -29.28 10.38 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.945 -1.097 . . . . 0.0 111.064 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.1 t -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.926 -1.109 . . . . 0.0 109.946 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.83 3.63 63.92 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 20' ' ' ARG . 36.3 ttt-85 -62.25 -47.8 82.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.921 -1.341 . . . . 0.0 109.138 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 96.3 mt-10 -149.88 160.05 43.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.388 -0.82 . . . . 0.0 109.485 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.92 -171.52 31.07 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.32 158.05 24.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.443 -1.033 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.695 ' HZ3' ' HE2' ' B' ' 15' ' ' HIS . 48.6 mtpt -80.01 -10.41 59.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -73.9 -35.78 64.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.437 -0.789 . . . . 0.0 110.685 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -129.99 157.81 41.32 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.238 -0.914 . . . . 0.0 110.65 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -119.54 126.2 50.66 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -84.54 158.82 20.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 108.832 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.24 -37.16 45.49 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.752 -1.217 . . . . 0.0 108.414 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -62.94 -42.85 99.94 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.399 -0.813 . . . . 0.0 109.69 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 85.8 mt-10 -69.95 -40.05 75.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.979 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.57 -33.03 73.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.96 -1.087 . . . . 0.0 108.121 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.79 -39.99 82.72 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -66.15 -41.41 90.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.487 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 2.9 tm? -60.01 -49.97 75.59 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.555 -0.716 . . . . 0.0 109.453 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.681 -1.262 . . . . 0.0 110.675 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.696 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -75.47 -25.37 57.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.445 -1.409 . . . . 0.0 110.701 -178.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.696 ' N ' HD21 ' B' ' 37' ' ' ASN . 0.7 OUTLIER -89.83 -29.97 18.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.895 -1.128 . . . . 0.0 111.027 -178.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 14.1 mp0 -95.67 -20.07 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.821 -1.174 . . . . 0.0 109.866 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.66 56.45 0.67 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.092 -1.005 . . . . 0.0 108.42 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.9 t -48.85 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -111.76 -4.13 14.75 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.47 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 87.0 m-85 -69.95 -30.04 67.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.765 . . . . 0.0 109.39 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.57 -159.38 0.95 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 138.31 10.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.129 -0.982 . . . . 0.0 110.27 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 41' ' ' SER . 18.0 tp10 -99.77 120.04 39.1 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -92.71 118.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 122.171 0.986 . . . . 0.0 109.575 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.481 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.87 -10.68 1.55 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -123.1 149.31 44.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.647 -0.658 . . . . 0.0 110.059 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.17 -22.72 62.94 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 8.3 pt-20 -60.01 -43.1 95.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.482 -0.761 . . . . 0.0 110.41 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 35.6 t -63.62 -46.89 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.2 t -60.0 -45.43 95.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.803 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -62.03 -46.67 88.15 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.662 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.84 -38.26 76.44 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.61 -36.94 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.2 mmm -70.15 -40.67 74.61 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.57 -30.72 71.53 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -68.72 -40.07 80.1 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.283 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.47 -54.13 2.65 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 57' ' ' MET . 27.1 t0 -82.34 58.39 4.06 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.85 2.14 2.17 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.003 0.906 . . . . 0.0 108.736 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.1 m-20 -73.73 -34.05 64.61 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.39 10.1 84.01 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.2 p-10 -79.66 1.48 26.13 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.71 29.83 76.3 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.294 -1.922 . . . . 0.0 108.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.2 mt-10 -142.75 153.37 43.23 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.544 -0.974 . . . . 0.0 110.264 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 1.3 t -130.1 122.97 29.32 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.12 165.57 21.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.127 -0.983 . . . . 0.0 109.255 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.74 -40.07 62.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.001 -1.062 . . . . 0.0 108.929 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.2 -40.64 96.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.021 -1.05 . . . . 0.0 109.481 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.07 -40.47 75.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.969 -1.082 . . . . 0.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.51 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.7 t80 -65.84 -40.02 91.35 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.11 -32.75 71.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.74 65.78 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.307 -0.871 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.96 -40.96 90.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.88 -1.138 . . . . 0.0 108.11 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.436 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER -61.7 -49.86 82.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 108.532 179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.558 ' HG ' ' N ' ' B' ' 79' ' ' MET . 80.1 p -63.79 -42.16 97.78 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.558 ' N ' ' HG ' ' B' ' 78' ' ' SER . 60.3 ttp -60.62 -45.2 94.94 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.866 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 t -80.0 -28.78 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.009 -1.057 . . . . 0.0 109.337 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 96.0 m -60.51 -39.98 89.76 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.753 -1.217 . . . . 0.0 109.144 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -67.24 -39.97 86.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.627 -0.67 . . . . 0.0 109.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.16 93.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.68 -40.0 93.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.101 -0.999 . . . . 0.0 109.103 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.99 87.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.454 -0.779 . . . . 0.0 109.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.03 -39.99 87.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.291 -0.881 . . . . 0.0 110.087 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 . . . . . 0 C--N 1.3 -1.582 0 O-C-N 121.159 -0.963 . . . . 0.0 109.041 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -60.25 -39.97 88.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 108.661 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.24 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.023 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.301 -1.503 0 O-C-N 121.417 -0.802 . . . . 0.0 108.907 -178.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.13 -40.05 88.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 108.57 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.34 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.366 -0.834 . . . . 0.0 110.06 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.02 -39.98 87.71 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 0.0 109.003 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.608 -179.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.313 0.578 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -37.23 86.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.0 108.993 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.23 -24.05 67.53 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.965 -1.085 . . . . 0.0 110.824 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.711 -1.243 . . . . 0.0 110.058 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HZ3' ' NZ ' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -70.39 -33.33 71.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.2 . . . . 0.0 109.013 179.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.49 92.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.434 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 62.1 tpp -59.97 -40.69 89.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 0.0 109.039 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -40.12 82.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.78 96.05 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.515 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.13 -39.89 82.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.898 -1.126 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 11' ' ' ILE . 96.1 mt -65.71 -41.48 90.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.104 -0.998 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.88 -40.46 68.91 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 109.361 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 t -60.02 -32.02 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' O ' ' OG ' ' A' ' 18' ' ' SER . 56.4 t80 -60.01 -50.0 75.44 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.389 -0.925 . . . . 0.0 109.401 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -72.97 -27.9 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -0.947 . . . . 0.0 111.993 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.024 -1.047 . . . . 0.0 111.689 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.47 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 60.6 m-85 -117.01 -21.77 8.75 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.989 -1.069 . . . . 0.0 111.508 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 83.0 p -66.56 -36.71 83.33 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.438 -1.414 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.88 8.36 79.9 Favored Glycine 0 N--CA 1.495 2.594 0 C-N-CA 119.606 -1.283 . . . . 0.0 110.565 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -73.69 -40.02 63.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.677 -1.484 . . . . 0.0 109.65 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -147.72 153.02 38.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.27 -0.894 . . . . 0.0 109.111 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.88 -169.25 48.84 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -76.44 150.87 36.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.294 -1.121 . . . . 0.0 109.323 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.07 -39.07 88.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.697 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -79.94 -2.99 46.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.348 -0.845 . . . . 0.0 111.522 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.19 148.15 51.1 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.863 -1.148 . . . . 0.0 110.048 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.01 112.26 18.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.626 -0.672 . . . . 0.0 109.28 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 24.4 ttpp -84.15 149.58 26.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.982 -1.074 . . . . 0.0 108.503 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.3 ptmt -40.41 -39.97 1.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.723 -0.61 . . . . 0.0 110.468 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.513 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -64.68 -44.37 90.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.176 -0.953 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 38.1 tt0 -69.32 -32.45 71.58 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.075 -1.016 . . . . 0.0 108.564 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.07 -36.04 79.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.622 -0.674 . . . . 0.0 109.297 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -59.94 -45.31 93.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.442 -0.786 . . . . 0.0 110.086 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.04 -34.44 73.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.039 -1.038 . . . . 0.0 109.693 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.02 -52.31 65.91 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.361 -0.837 . . . . 0.0 109.63 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.97 -43.73 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.01 -38.16 81.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.891 . . . . 0.0 110.979 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.4 t30 -82.75 -36.26 25.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.922 -1.111 . . . . 0.0 111.185 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -77.85 -40.74 39.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.361 -1.462 . . . . 0.0 108.496 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' SER . 11.8 mt -101.47 49.32 0.87 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 40' ' ' LEU . 24.7 m -47.25 -93.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.154 -0.966 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -116.59 -8.07 11.53 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.417 -0.802 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 108.716 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.75 -154.79 0.59 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -53.97 134.09 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.621 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 86.2 tt0 -106.81 122.29 46.1 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.436 HG23 HD12 ' A' ' 47' ' ' ILE . 45.1 mm -92.04 109.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.966 0.889 . . . . 0.0 110.148 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -127.75 -8.04 5.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.9 tp10 -123.49 136.95 54.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.2 -23.4 67.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.257 -0.902 . . . . 0.0 109.955 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.4 pt-20 -59.74 -40.19 87.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.847 . . . . 0.0 110.067 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' VAL . 16.0 t -63.54 -49.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.0 t -59.94 -45.3 95.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.963 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -61.93 -46.11 90.78 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.143 -1.423 . . . . 0.0 108.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.13 -38.98 75.69 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.309 -0.87 . . . . 0.0 109.666 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' VAL . 41.8 t -76.48 -32.86 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-O 121.656 0.741 . . . . 0.0 109.092 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.575 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.8 tpt -70.66 -46.0 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.85 -31.45 72.64 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -69.58 -39.95 77.02 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.533 0.683 . . . . 0.0 109.432 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.12 -57.75 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 13.5 t0 -82.55 58.07 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -66.94 4.26 0.89 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.727 0.775 . . . . 0.0 109.247 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.9 m-20 -76.26 -26.72 56.25 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.39 10.05 85.81 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.7 p-10 -86.92 0.01 55.76 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.95 28.39 73.07 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 48.4 mt-10 -146.05 153.81 41.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.407 -1.055 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 126.51 38.2 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.37 170.05 16.48 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.883 -1.136 . . . . 0.0 109.095 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 32.8 p90 -57.14 -41.02 78.32 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.204 -0.999 . . . . 0.0 108.601 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 20.3 tm0? -59.97 -41.12 91.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.208 -0.932 . . . . 0.0 108.92 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.13 -40.05 96.47 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.308 -0.87 . . . . 0.0 109.053 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.03 -39.02 84.44 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.99 -34.16 72.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.14 71.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 110.577 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.0 -40.05 87.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.717 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.4 t -59.97 -40.0 81.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -59.92 -40.94 90.58 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.914 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -63.26 -46.47 86.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.93 -28.31 11.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -66.0 -40.06 90.82 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.037 -1.039 . . . . 0.0 108.676 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 p -74.7 -40.01 61.61 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.748 -0.595 . . . . 0.0 109.97 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.53 91.45 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 0.0 109.745 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.79 -44.15 90.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.203 -0.936 . . . . 0.0 109.406 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -62.74 -40.12 96.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.413 -0.804 . . . . 0.0 109.868 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.12 -39.89 87.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 C--N 1.301 -1.541 0 O-C-N 121.238 -0.914 . . . . 0.0 109.68 -179.324 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.317 0.579 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 108.945 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.72 -24.23 67.69 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.043 -1.035 . . . . 0.0 110.796 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -50.02 75.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.723 -1.236 . . . . 0.0 110.034 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' HZ3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -70.89 -32.85 69.95 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.732 -1.23 . . . . 0.0 109.005 179.431 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.73 92.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 0.0 109.267 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.5 tpp -60.12 -40.75 90.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.902 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.07 -39.92 81.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.63 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.463 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.28 -40.02 81.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.138 . . . . 0.0 109.234 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.423 HD11 HG23 ' B' ' 11' ' ' ILE . 96.2 mt -65.55 -41.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.127 -0.983 . . . . 0.0 109.097 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.73 -40.41 69.43 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.817 -1.177 . . . . 0.0 109.485 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.04 -32.14 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.461 ' O ' ' OG ' ' B' ' 18' ' ' SER . 56.2 t80 -59.81 -50.01 75.48 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.357 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -72.98 -27.86 62.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.198 -0.939 . . . . 0.0 112.065 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.92 -39.96 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.009 -1.057 . . . . 0.0 111.713 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 60.5 m-85 -117.28 -21.71 8.61 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.01 -1.056 . . . . 0.0 111.474 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.2 p -66.6 -36.75 83.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.534 -1.354 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.72 8.2 80.16 Favored Glycine 0 N--CA 1.495 2.615 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.618 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -73.5 -39.94 64.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.737 -1.449 . . . . 0.0 109.707 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -147.87 152.68 38.01 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.084 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.85 -169.22 48.79 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -76.49 150.78 36.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 109.295 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.02 -39.04 88.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 109.69 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -80.02 -3.0 46.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 111.448 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -129.27 148.25 51.18 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.903 -1.123 . . . . 0.0 110.115 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 mt -120.08 112.19 18.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.685 -0.634 . . . . 0.0 109.335 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' OG ' ' B' ' 30' ' ' SER . 24.5 ttpp -83.96 149.63 26.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.908 -1.12 . . . . 0.0 108.553 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 17.2 ptmt -40.25 -39.93 1.03 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.47 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.676 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 60.3 p -65.05 -44.02 90.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 110.265 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.676 ' N ' ' HG ' ' B' ' 30' ' ' SER . 38.0 tt0 -69.51 -32.54 71.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.047 -1.033 . . . . 0.0 108.541 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.04 -35.94 79.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.663 -0.648 . . . . 0.0 109.307 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.09 -45.43 92.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 0.0 109.969 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.05 -34.34 73.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -52.26 66.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.99 -43.63 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 110.181 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.04 -38.21 82.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.421 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.3 t30 -82.72 -36.15 26.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.915 -1.115 . . . . 0.0 111.25 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.93 -40.77 38.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.496 -1.377 . . . . 0.0 108.445 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 41' ' ' SER . 11.8 mt -101.49 49.32 0.87 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 40' ' ' LEU . 21.0 m -47.29 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -116.56 -8.28 11.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.422 -0.799 . . . . 0.0 109.515 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.98 -30.74 68.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.67 -154.6 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.21 134.42 44.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.107 . . . . 0.0 109.522 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' B' ' 48' ' ' LYS . 86.2 tt0 -106.96 122.79 47.13 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.421 HG23 HD12 ' B' ' 47' ' ' ILE . 43.6 mm -92.5 109.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.044 0 CA-C-O 121.92 0.867 . . . . 0.0 110.033 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -127.62 -8.18 5.66 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.122 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 50.1 tp10 -123.31 136.93 54.91 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.13 -23.11 67.2 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.256 -0.903 . . . . 0.0 110.044 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.432 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -60.0 -40.25 88.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.378 -0.826 . . . . 0.0 110.008 -178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.4 t -63.51 -48.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 57' ' ' MET . 3.8 t -60.03 -45.23 95.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.072 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.98 -46.13 90.59 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.204 -1.398 . . . . 0.0 108.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' B' ' 59' ' ' THR . 25.6 mtpp -70.15 -38.88 75.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.36 -0.838 . . . . 0.0 109.748 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -76.65 -32.85 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-O 121.656 0.741 . . . . 0.0 109.045 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 53' ' ' VAL . 9.6 tpt -70.5 -46.21 64.14 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.92 -31.34 72.49 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 94.1 m -69.41 -39.86 77.65 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.561 0.696 . . . . 0.0 109.519 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.24 -57.85 2.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 13.1 t0 -82.46 57.79 3.85 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -66.51 4.0 0.85 Allowed 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.727 0.775 . . . . 0.0 109.277 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.0 m-20 -76.11 -26.77 56.73 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 10.03 85.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.6 p-10 -86.94 -0.03 55.87 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.0 28.22 73.2 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.542 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 48.5 mt-10 -145.9 153.7 41.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.339 -1.095 . . . . 0.0 110.801 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.65 126.48 38.47 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.51 170.01 16.43 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.042 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 33.2 p90 -56.72 -41.43 77.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.113 -0.992 . . . . 0.0 108.554 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.549 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 20.4 tm0? -59.99 -40.97 90.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.96 . . . . 0.0 108.867 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.22 -39.93 96.04 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.248 -0.908 . . . . 0.0 109.057 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.03 -38.98 84.31 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.2 tpt -60.06 -34.05 72.88 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.84 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.03 -40.13 88.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.85 -1.156 . . . . 0.0 108.837 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.427 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.4 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -59.99 -41.09 91.3 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.905 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtm -63.16 -46.57 86.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.114 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.79 -28.31 11.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.054 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.434 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 94.6 m -66.05 -39.94 90.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.118 -0.989 . . . . 0.0 108.798 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -74.78 -39.98 61.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 109.986 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.45 91.23 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.93 -44.05 90.75 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 109.444 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.89 -40.06 96.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 109.791 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.03 -39.95 87.65 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.341 -0.85 . . . . 0.0 110.569 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.932 . . . . 0.0 109.679 -179.338 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.15 -34.05 74.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.293 -0.88 . . . . 0.0 109.283 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 99.3 mt -60.01 -40.39 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 110.148 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.137 . . . . 0.0 108.862 -179.581 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.21 -34.08 74.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.254 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.04 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.888 . . . . 0.0 110.171 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' O ' ' OG ' ' Y' ' 12' ' ' SER . 10.5 mp -56.18 -40.06 73.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.825 -1.172 . . . . 0.0 108.924 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' Y' ' 11' ' ' LEU . 65.2 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.535 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.7 -39.78 91.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.178 -0.952 . . . . 0.0 109.504 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -26.54 68.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.586 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.8 tt0 -60.02 -48.81 80.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.946 -1.096 . . . . 0.0 110.524 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -66.62 -39.68 88.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.593 -1.317 . . . . 0.0 109.471 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.34 87.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.299 -0.875 . . . . 0.0 110.19 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.3 -42.54 95.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.832 -1.167 . . . . 0.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.06 -40.28 82.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.41 94.07 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.802 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.14 -40.5 94.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.027 -1.046 . . . . 0.0 108.799 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -68.2 -40.3 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.702 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -74.07 -40.1 63.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.609 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.08 -34.9 58.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.97 -50.01 75.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.515 -0.741 . . . . 0.0 109.742 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -72.01 -31.8 66.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.533 -0.729 . . . . 0.0 110.767 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.49 89.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 111.427 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.491 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 89.4 m-85 -93.08 -28.22 16.48 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.779 -1.2 . . . . 0.0 111.024 -178.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -65.83 -38.69 89.59 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.27 3.24 32.26 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.176 -0.952 . . . . 0.0 110.908 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -60.07 -47.39 86.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.35 . . . . 0.0 109.045 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -168.19 158.46 10.15 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.457 -0.777 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.12 -165.91 51.14 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 55.9 t0 -79.53 142.15 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.441 -1.035 . . . . 0.0 109.664 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.3 mtmp? -69.44 -27.77 65.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.473 -0.767 . . . . 0.0 109.954 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.99 -18.29 61.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.584 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.77 149.66 51.42 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.204 -0.935 . . . . 0.0 110.585 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.93 130.48 56.51 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpp -96.32 150.41 20.59 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.126 -0.984 . . . . 0.0 108.715 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.0 mtmt -37.44 -49.68 1.04 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.693 -0.629 . . . . 0.0 110.487 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -60.1 -39.92 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.052 -1.03 . . . . 0.0 109.794 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.1 mt-10 -64.34 -39.96 94.94 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 0.0 108.998 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.43 -37.27 80.12 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.38 -0.825 . . . . 0.0 109.11 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.49 -40.08 74.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.046 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.42 -40.53 81.17 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.059 -1.057 . . . . 0.0 108.255 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.0 -51.04 71.36 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.611 -0.681 . . . . 0.0 110.41 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.97 -40.6 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.065 -1.022 . . . . 0.0 110.567 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.46 -28.98 62.24 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.176 -1.578 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.491 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -86.65 -50.53 6.73 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.051 -1.031 . . . . 0.0 110.739 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -83.3 -43.51 15.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.938 -1.101 . . . . 0.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -98.76 30.99 3.08 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 40' ' ' LEU . 39.4 t -42.66 -104.07 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.264 0.554 . . . . 0.0 111.988 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 50.7 p-80 -92.53 -8.12 45.36 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.903 -1.123 . . . . 0.0 110.173 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.4 m-85 -69.1 -39.75 78.81 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.209 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 45' ' ' GLU . 10.7 mt -142.49 122.42 13.6 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -0.751 . . . . 0.0 109.683 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' LEU . 17.7 tp10 40.64 103.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.833 -0.542 . . . . 0.0 111.645 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -81.3 119.03 23.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.442 HD12 HG22 ' A' ' 47' ' ' ILE . 28.1 mm -81.86 108.17 14.67 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.422 0 CA-C-O 121.971 0.891 . . . . 0.0 109.181 -178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.85 -15.68 10.65 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 80.2 mt-10 -122.77 152.92 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.818 0.818 . . . . 0.0 110.387 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.37 -21.19 60.58 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.54 -43.32 97.31 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.023 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.99 -49.58 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.5 t -60.34 -47.17 93.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.276 -0.875 . . . . 0.0 108.981 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.22 -43.71 95.79 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.196 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -70.01 -38.93 76.08 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.39 -0.819 . . . . 0.0 109.38 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.56 -31.75 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.098 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 53' ' ' VAL . 12.5 tpt -72.12 -41.84 66.73 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.13 -30.13 70.19 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 m -64.07 -32.68 74.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.295 0.569 . . . . 0.0 109.686 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 39.1 mt -104.45 -50.64 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 63' ' ' ASP . 66.8 t0 -72.27 56.01 0.34 Allowed 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.49 7.93 0.29 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.701 0.762 . . . . 0.0 109.103 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.8 m-20 -95.08 -27.81 15.41 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 10.08 85.98 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.0 p-10 -80.4 3.06 22.53 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.652 -0.911 . . . . 0.0 108.582 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.81 29.31 71.12 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.0 mt-10 -145.72 156.06 43.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.484 -1.01 . . . . 0.0 110.239 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.48 121.18 26.74 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -80.0 169.1 18.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 17.7 p90 -59.39 -39.94 84.97 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 53.3 tp60 -61.71 -40.35 94.72 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.359 -0.838 . . . . 0.0 108.801 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -70.03 -42.19 73.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.901 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -65.86 -34.56 78.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 108.96 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -32.05 70.49 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 108.777 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.25 65.33 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.018 -1.051 . . . . 0.0 109.742 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.0 -41.44 92.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.128 -0.983 . . . . 0.0 109.521 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -40.59 87.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 120.969 -1.082 . . . . 0.0 108.49 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -65.21 -43.13 92.5 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.759 -0.588 . . . . 0.0 111.127 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -73.75 -39.99 63.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.857 -1.152 . . . . 0.0 110.813 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.49 -32.69 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.801 -1.187 . . . . 0.0 108.98 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -65.69 -39.84 91.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.975 -1.078 . . . . 0.0 108.23 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -63.92 -40.01 95.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.99 -41.63 92.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.058 -1.026 . . . . 0.0 108.54 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.38 -40.08 89.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.47 -0.769 . . . . 0.0 108.959 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.6 -6.16 10.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.53 -0.731 . . . . 0.0 110.4 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.085 -179.503 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.532 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.83 -26.64 68.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -0.913 . . . . 0.0 110.433 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.8 tt0 -59.73 -49.34 78.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.001 -1.062 . . . . 0.0 110.413 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -66.34 -39.53 89.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.538 -1.352 . . . . 0.0 109.546 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.62 87.13 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.896 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 ttm -60.08 -42.53 94.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.819 -1.176 . . . . 0.0 109.001 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.98 -40.56 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.78 93.05 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.707 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.84 -40.66 93.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.981 -1.075 . . . . 0.0 108.879 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.41 HD13 HG21 ' B' ' 11' ' ' ILE . 91.9 mt -68.07 -40.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 108.787 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -74.09 -40.11 62.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.086 -1.009 . . . . 0.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.7 t -60.09 -35.06 59.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.9 -50.02 75.41 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -71.77 -32.08 67.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.649 -0.657 . . . . 0.0 110.804 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.26 89.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 111.378 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 90.2 m-85 -93.08 -28.01 16.61 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.654 -1.279 . . . . 0.0 111.106 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -65.82 -38.88 90.12 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.961 -1.087 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.95 3.04 30.66 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.197 -0.939 . . . . 0.0 111.026 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -60.06 -47.4 86.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.886 -1.361 . . . . 0.0 109.078 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -168.24 158.37 9.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 109.621 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.98 -165.93 51.38 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 55.4 t0 -79.23 142.21 36.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.048 . . . . 0.0 109.808 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.51 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 8.4 mtmp? -69.43 -27.99 65.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -0.801 . . . . 0.0 109.933 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.73 -18.9 61.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.898 . . . . 0.0 110.631 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.15 149.87 50.78 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.135 -0.978 . . . . 0.0 110.643 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.84 130.55 56.46 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 31' ' ' GLU . 24.5 ttpp -96.27 150.48 20.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.149 -0.969 . . . . 0.0 108.668 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.8 mtmt -37.52 -49.65 1.07 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.692 -0.63 . . . . 0.0 110.489 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -59.96 -40.25 88.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.0 109.795 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 37.9 mt-10 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.0 109.124 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.25 -37.79 81.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.116 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -56.28 -40.06 73.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 108.989 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.16 -40.84 82.22 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.99 -51.12 71.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.544 -0.722 . . . . 0.0 110.423 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.6 -41.02 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.047 -1.033 . . . . 0.0 110.574 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -73.33 -28.66 62.19 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.17 -1.581 . . . . 0.0 110.572 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.502 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -86.91 -50.53 6.63 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.907 -1.121 . . . . 0.0 110.722 -178.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -83.2 -43.59 15.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.952 -1.093 . . . . 0.0 110.7 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -98.68 31.03 3.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.448 ' O ' ' O ' ' B' ' 40' ' ' LEU . 39.0 t -42.69 -103.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.773 -0.58 . . . . 0.0 112.137 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.0 p-80 -92.98 -7.93 44.49 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.882 -1.137 . . . . 0.0 110.176 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 87.3 m-85 -69.19 -39.86 78.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 45' ' ' GLU . 10.6 mt -142.44 122.63 13.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.784 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 44' ' ' LEU . 17.9 tp10 40.23 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 178.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.34 118.93 23.06 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.449 HD12 HG22 ' B' ' 47' ' ' ILE . 27.5 mm -81.78 108.28 14.72 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.93 0.871 . . . . 0.0 109.278 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.99 -15.59 10.58 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -122.76 152.57 40.5 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.766 0.793 . . . . 0.0 110.438 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.34 -21.28 60.58 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.38 -43.31 96.73 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.08 -49.57 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.5 t -60.37 -47.22 93.32 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.95 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.32 -43.45 96.35 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.217 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.06 -39.18 75.82 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.305 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -76.17 -31.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 CA-C-O 121.649 0.738 . . . . 0.0 109.101 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.6 tpt -71.95 -41.8 67.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.22 -30.08 70.22 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -64.24 -32.72 74.42 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 41.4 mt -104.13 -50.97 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 66.6 t0 -71.95 55.82 0.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.34 7.99 0.27 Allowed 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.702 0.763 . . . . 0.0 109.051 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.8 m-20 -95.12 -27.96 15.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.11 85.91 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.578 -1.809 . . . . 0.0 108.578 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.4 p-10 -80.48 3.35 21.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.585 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.52 29.07 71.71 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -145.68 155.84 43.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.454 -1.027 . . . . 0.0 110.353 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -129.69 121.21 26.5 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -79.79 169.09 18.44 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 109.554 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 18.8 p90 -59.43 -40.03 85.42 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 53.9 tp60 -61.54 -40.41 94.59 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.265 -0.897 . . . . 0.0 108.925 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -69.98 -42.0 73.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.137 -0.977 . . . . 0.0 109.825 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -65.97 -34.49 78.23 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -31.92 70.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.149 -0.969 . . . . 0.0 108.931 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.32 65.05 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.079 -1.013 . . . . 0.0 109.75 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.96 -41.2 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.147 -0.971 . . . . 0.0 109.471 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -40.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 108.399 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -64.83 -43.32 93.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.809 -0.557 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.6 -40.0 64.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.82 -1.175 . . . . 0.0 110.907 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.68 -32.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.742 -1.224 . . . . 0.0 109.139 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 49.4 m -65.92 -39.98 91.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.002 -1.062 . . . . 0.0 108.163 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -63.57 -40.15 96.25 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.18 91.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.5 m -59.92 -41.31 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.973 -1.079 . . . . 0.0 108.596 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.74 -39.76 89.9 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.03 -5.78 10.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.687 -0.633 . . . . 0.0 110.394 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 120.994 -1.066 . . . . 0.0 110.127 -179.378 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.656 ' ND2' ' H ' ' X' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.06 -39.87 75.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.619 -0.676 . . . . 0.0 109.724 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.34 -53.91 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.197 -0.939 . . . . 0.0 110.352 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.303 -1.453 0 O-C-N 121.44 -0.788 . . . . 0.0 109.295 -178.153 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.66 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -69.96 -39.93 75.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.94 -55.09 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.18 -39.8 87.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.356 -0.84 . . . . 0.0 109.521 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.386 179.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 86.4 tt0 -60.5 -39.96 89.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.373 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.44 -23.26 37.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.5 -0.75 . . . . 0.0 110.258 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.0 tt0 -59.96 -49.45 77.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -69.54 -29.41 66.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.778 -1.201 . . . . 0.0 109.154 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.52 -40.34 57.15 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.546 -0.721 . . . . 0.0 110.467 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.7 ttm -60.02 -45.34 93.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 110.059 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -61.61 -39.6 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.02 93.93 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.758 -0.589 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.86 -41.11 92.07 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.411 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.3 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.142 -0.974 . . . . 0.0 108.975 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.25 -42.54 54.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.335 -0.853 . . . . 0.0 109.967 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.5 -34.51 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' O ' ' OG ' ' A' ' 18' ' ' SER . 86.1 t80 -59.08 -48.06 82.98 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 109.057 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -69.95 -30.67 68.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.198 -0.939 . . . . 0.0 110.952 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' OE1' ' B' ' 2' ' ' GLU . 77.0 mt-30 -59.9 -45.5 92.35 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.773 -1.205 . . . . 0.0 112.177 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -104.71 -28.62 11.1 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.776 -1.203 . . . . 0.0 110.714 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 93.6 p -60.08 -38.09 81.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.44 -1.413 . . . . 0.0 108.683 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.72 9.82 10.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 20' ' ' ARG . 37.3 ttt-85 -60.14 -37.31 79.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -1.106 . . . . 0.0 109.701 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -140.34 168.59 19.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.269 -0.894 . . . . 0.0 109.953 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.27 -29.64 16.4 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 26' ' ' LYS . 49.3 t0 -69.7 65.59 0.21 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.754 -1.439 . . . . 0.0 109.769 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -72.65 -33.26 66.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.798 . . . . 0.0 109.666 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -70.68 -34.34 71.89 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.554 -0.716 . . . . 0.0 110.635 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 91.9 mttt -129.78 156.3 44.54 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.226 -0.921 . . . . 0.0 110.088 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -106.19 124.51 49.7 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.474 -0.767 . . . . 0.0 109.044 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' GLU . 78.7 tttt -91.46 151.86 20.61 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.0 108.616 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.2 ptpt -41.22 -39.56 1.37 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.382 -0.824 . . . . 0.0 110.034 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.5 p -63.61 -40.62 97.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.154 -0.966 . . . . 0.0 109.378 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' LYS . 43.4 mt-10 -67.43 -40.25 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.175 -0.953 . . . . 0.0 109.055 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -67.66 -40.02 84.5 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 2.8 tm? -59.89 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.443 -0.785 . . . . 0.0 109.352 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.4 mt -72.36 -42.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 120.592 -1.317 . . . . 0.0 110.24 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -73.63 -24.01 59.96 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.463 -1.398 . . . . 0.0 110.967 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' ND2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -90.09 -33.96 16.09 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.7 -1.25 . . . . 0.0 111.463 -178.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.534 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 39.5 mp0 -109.01 -32.75 7.13 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.856 -1.153 . . . . 0.0 111.049 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 1.1 mm? -99.95 19.53 16.03 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.877 -1.139 . . . . 0.0 108.174 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.675 ' HG ' ' H ' ' A' ' 42' ' ' HIS . 79.7 p -44.59 -101.21 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.813 -0.554 . . . . 0.0 111.932 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.675 ' H ' ' HG ' ' A' ' 41' ' ' SER . 55.6 t-80 -87.11 -22.39 25.42 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.154 -0.966 . . . . 0.0 111.391 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 97.3 m-85 -61.17 -30.18 70.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.648 -1.283 . . . . 0.0 108.801 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -141.36 -155.62 0.6 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -50.42 137.75 18.34 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.697 -1.252 . . . . 0.0 110.96 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 7.5 pt-20 -100.2 122.02 42.37 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.4 mm -91.36 120.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 CA-C-O 122.032 0.92 . . . . 0.0 109.809 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -133.96 -12.02 2.58 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -122.03 153.0 39.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 0.0 110.329 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -72.47 -23.28 61.02 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.5 pt-20 -60.25 -45.54 92.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.401 -0.812 . . . . 0.0 110.136 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.3 t -61.97 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 57' ' ' MET . 40.9 t -60.99 -44.02 97.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.844 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -63.73 -44.79 92.52 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.297 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -69.36 -39.2 78.23 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.582 0.706 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.25 -33.09 19.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.574 -0.704 . . . . 0.0 109.615 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.54 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.2 tpt -74.66 -41.9 59.46 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.96 -30.91 71.24 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 m -63.63 -34.91 78.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.917 -0.489 . . . . 0.0 110.325 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.35 5.66 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 63' ' ' ASP . 66.1 t0 -78.76 56.39 1.87 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.41 5.64 0.54 Allowed 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.085 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' A' ' 61' ' ' ASP . 91.4 m-20 -88.58 -31.17 18.75 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.24 11.24 83.72 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 49.2 p-10 -84.52 4.84 30.03 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.42 36.57 92.72 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.8 mt-10 -145.37 153.75 41.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.272 -1.134 . . . . 0.0 110.449 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 122.29 23.9 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -80.02 168.85 18.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 5.5 p90 -54.71 -42.27 71.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.947 -1.096 . . . . 0.0 108.526 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.523 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.4 tt0 -60.73 -40.99 94.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -0.899 . . . . 0.0 109.819 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.59 -40.13 96.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.998 -1.064 . . . . 0.0 109.67 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.79 -40.22 87.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.341 -0.849 . . . . 0.0 109.132 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.4 mmm -60.26 -37.13 79.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.356 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.62 78.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 110.524 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -58.42 -40.5 82.65 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.962 -1.086 . . . . 0.0 108.851 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.1 t -60.65 -43.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.235 -0.915 . . . . 0.0 108.767 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.421 ' O ' ' OG1' ' A' ' 82' ' ' THR . 22.9 t -60.48 -42.35 96.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.568 -0.707 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.95 -45.59 92.99 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.468 -0.77 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.51 -28.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.168 -0.958 . . . . 0.0 109.92 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.0 m -68.38 -39.7 81.67 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.4 m -69.62 -39.76 76.99 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.797 -0.564 . . . . 0.0 109.691 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.19 96.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.99 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.3 -40.92 98.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.356 -0.84 . . . . 0.0 109.946 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -60.02 -40.1 88.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.045 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.93 -21.85 65.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.708 -0.62 . . . . 0.0 110.374 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.5 t80 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -178.672 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 81.7 tt0 -60.74 -39.75 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.54 -22.98 36.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.554 -0.716 . . . . 0.0 110.364 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.6 tt0 -59.8 -49.68 76.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 110.67 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.5 pttt -69.57 -29.68 67.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.735 -1.228 . . . . 0.0 109.217 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -75.08 -40.38 60.17 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.5 -0.75 . . . . 0.0 110.367 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.29 -45.39 93.51 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.875 -1.14 . . . . 0.0 110.0 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.39 -39.85 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.22 94.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.659 -0.65 . . . . 0.0 109.841 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.33 -41.23 89.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.994 -1.066 . . . . 0.0 108.295 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -43.17 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.165 -0.96 . . . . 0.0 108.794 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.28 -42.34 55.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.362 -0.836 . . . . 0.0 110.049 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t -57.77 -34.73 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.453 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.1 t80 -58.71 -47.96 82.78 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 109.163 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -70.02 -30.75 68.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.193 -0.942 . . . . 0.0 110.979 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 2' ' ' GLU . 76.0 mt-30 -59.88 -45.66 91.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.758 -1.214 . . . . 0.0 112.087 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.406 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 31.3 p90 -104.52 -28.56 11.22 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.895 -1.128 . . . . 0.0 110.887 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 96.7 p -60.1 -38.09 81.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.488 -1.382 . . . . 0.0 108.545 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.89 9.79 10.63 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.44 ' HG2' HH11 ' B' ' 20' ' ' ARG . 34.4 ttt-85 -60.15 -37.09 79.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.244 -1.15 . . . . 0.0 109.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.43 168.67 19.26 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.24 -29.44 15.86 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 26' ' ' LYS . 49.2 t0 -69.94 64.86 0.23 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.726 -1.455 . . . . 0.0 109.933 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -71.58 -33.94 69.49 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.662 0.744 . . . . 0.0 109.816 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -70.79 -34.59 71.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.667 -0.646 . . . . 0.0 110.545 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 90.9 mttt -129.54 156.95 43.34 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.102 -0.999 . . . . 0.0 110.2 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.5 123.75 48.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.571 -0.706 . . . . 0.0 109.127 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' B' ' 31' ' ' GLU . 81.1 tttt -91.08 151.27 21.07 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.2 ptpt -40.97 -39.05 1.08 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.358 -0.839 . . . . 0.0 110.18 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -63.74 -41.03 98.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.132 -0.98 . . . . 0.0 109.212 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.2 mt-10 -67.11 -40.0 86.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.317 -0.864 . . . . 0.0 109.023 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -68.27 -36.18 79.01 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.036 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.96 -39.89 72.45 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.73 -40.03 84.24 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.504 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 2.8 tm? -59.83 -49.12 78.94 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.474 -0.766 . . . . 0.0 109.415 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.8 mt -72.54 -42.48 63.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.672 -1.267 . . . . 0.0 110.245 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -73.42 -23.97 60.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.52 -1.363 . . . . 0.0 111.033 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OE2' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -89.97 -34.39 16.03 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.645 -1.284 . . . . 0.0 111.38 -178.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.535 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 39.9 mp0 -108.34 -32.87 7.28 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.792 -1.193 . . . . 0.0 111.115 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.99 19.91 15.37 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.985 -1.072 . . . . 0.0 108.194 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 96.3 p -45.06 -100.86 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.669 -0.645 . . . . 0.0 112.008 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.498 ' N ' ' OG ' ' B' ' 41' ' ' SER . 56.2 t-80 -87.03 -22.59 25.38 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.233 -0.917 . . . . 0.0 111.347 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.54 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 97.1 m-85 -61.11 -30.41 70.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.794 -1.191 . . . . 0.0 108.803 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -141.26 -155.22 0.57 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.356 -0.84 . . . . 0.0 108.752 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -51.05 138.22 20.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.656 -1.278 . . . . 0.0 110.968 -178.169 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 7.2 pt-20 -100.24 122.12 42.54 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.426 HD11 HG21 ' B' ' 47' ' ' ILE . 37.4 mm -91.66 121.07 41.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-O 122.037 0.922 . . . . 0.0 109.79 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.497 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -134.66 -11.43 2.37 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -122.2 153.17 39.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.616 0.722 . . . . 0.0 110.39 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.54 -23.46 60.99 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.1 pt-20 -59.99 -45.61 92.14 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 22.6 t -62.09 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.8 t -60.78 -44.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.775 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.41 -45.13 92.42 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.764 -1.21 . . . . 0.0 109.389 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' B' ' 59' ' ' THR . 9.0 mtpm? -69.28 -38.97 78.59 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.02 -33.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 121.588 0.709 . . . . 0.0 109.528 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.56 ' N ' ' O ' ' B' ' 53' ' ' VAL . 8.6 tpt -74.74 -42.02 59.05 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.58 -31.38 71.43 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 27.7 m -63.42 -34.82 78.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.912 -0.493 . . . . 0.0 110.502 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.03 5.75 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.568 ' C ' ' H ' ' B' ' 63' ' ' ASP . 66.3 t0 -79.37 56.14 2.06 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.22 6.02 0.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 CA-C-O 121.695 0.759 . . . . 0.0 109.093 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' B' ' 61' ' ' ASP . 91.7 m-20 -88.73 -31.07 18.62 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.86 84.33 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.071 -2.011 . . . . 0.0 108.071 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.4 p-10 -84.37 5.18 28.04 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 60.75 36.92 92.72 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -145.51 153.38 41.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.294 -1.121 . . . . 0.0 110.481 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.91 122.57 24.53 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -80.19 168.38 19.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.163 -0.961 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 5.6 p90 -54.66 -41.75 70.51 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.005 -1.059 . . . . 0.0 108.527 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 60.7 tt0 -61.39 -40.8 95.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.175 -0.953 . . . . 0.0 109.642 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.78 -39.92 95.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 5.0 t80 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.923 . . . . 0.0 109.035 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.19 -37.27 79.71 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.359 -0.838 . . . . 0.0 109.267 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.96 77.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 110.639 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.0 -40.42 84.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.003 -1.061 . . . . 0.0 108.925 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.3 t -60.67 -43.92 95.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' B' ' 82' ' ' THR . 25.4 t -60.45 -42.69 96.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.585 -0.697 . . . . 0.0 109.848 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.79 -45.47 93.71 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 110.505 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.56 -28.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 109.83 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.0 m -68.17 -39.93 82.41 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 78' ' ' SER . 20.3 m -69.27 -40.07 78.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.803 -0.561 . . . . 0.0 109.614 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.6 97.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.268 -0.895 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.46 -40.72 97.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.815 . . . . 0.0 109.944 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.02 -40.08 88.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.017 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.56 -21.43 65.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.663 -0.648 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.949 . . . . 0.0 110.34 -179.021 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.61 -41.46 94.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.344 -0.847 . . . . 0.0 109.329 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.22 -47.8 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.204 -0.935 . . . . 0.0 110.467 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.008 . . . . 0.0 109.031 -178.694 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.96 -41.02 95.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.35 -0.844 . . . . 0.0 109.471 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.35 -47.9 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.296 -0.878 . . . . 0.0 110.184 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.06 -39.52 86.31 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.123 -0.985 . . . . 0.0 109.417 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.299 -1.589 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.233 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.454 0.645 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.98 -35.66 74.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.0 108.894 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.9 -26.42 65.09 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.325 -0.86 . . . . 0.0 110.453 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 87.2 mt-10 -60.06 -49.08 79.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.041 -1.037 . . . . 0.0 110.434 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.98 -37.59 75.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.915 -1.116 . . . . 0.0 109.601 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.35 92.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.299 -0.876 . . . . 0.0 109.913 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.6 mtp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.835 -1.166 . . . . 0.0 109.261 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.0 -40.31 82.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.16 87.66 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.991 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.94 -40.0 96.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.08 -1.012 . . . . 0.0 109.925 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.26 -42.18 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.647 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.51 -39.37 77.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.0 110.167 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.44 -35.76 55.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.082 -1.011 . . . . 0.0 108.352 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE2' ' NE2' ' B' ' 85' ' ' HIS . 85.2 t80 -59.83 -49.97 75.61 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.684 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -64.92 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.635 -0.666 . . . . 0.0 111.21 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -59.95 -46.72 88.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 111.547 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.599 ' HH ' ' ND2' ' A' ' 38' ' ' ASN . 98.9 m-85 -95.13 -26.07 16.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.77 -1.206 . . . . 0.0 111.215 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -65.19 -38.36 90.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.735 -1.228 . . . . 0.0 110.051 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.51 6.72 10.51 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 17' ' ' TYR . 18.6 mmt180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.054 -1.263 . . . . 0.0 109.894 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -136.02 160.92 37.14 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.419 -0.801 . . . . 0.0 109.777 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . -48.49 -26.06 4.91 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.4 m-20 -70.37 46.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 22' ' ' GLY . 37.0 ttpt -60.23 -29.66 68.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -0.913 . . . . 0.0 110.345 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.02 -35.77 74.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.062 -1.024 . . . . 0.0 110.57 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 67.4 mmtt -125.77 147.73 49.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 0.0 109.628 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -97.59 128.75 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -100.56 154.58 18.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.359 -0.838 . . . . 0.0 108.979 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -45.07 -35.02 2.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.165 -0.96 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -64.64 -43.86 92.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.9 -1.125 . . . . 0.0 109.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -68.8 -39.98 79.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 108.926 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.5 -39.85 92.44 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.635 0.731 . . . . 0.0 109.037 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.0 -42.62 94.65 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.13 -39.21 86.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.915 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.94 -50.35 74.1 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.792 -0.567 . . . . 0.0 110.81 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -77.71 -42.06 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.094 -1.004 . . . . 0.0 111.544 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 40.2 p30 -70.05 -22.59 63.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.288 -1.507 . . . . 0.0 110.746 -178.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.599 ' ND2' ' HH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -87.43 -34.45 18.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.968 -1.082 . . . . 0.0 112.308 -178.388 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.07 -29.67 8.84 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.597 -1.315 . . . . 0.0 111.628 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -97.81 13.71 29.56 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.862 -1.149 . . . . 0.0 108.624 -179.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' LEU . 36.7 p -44.59 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.275 -0.891 . . . . 0.0 111.162 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.41 -22.03 26.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -0.93 . . . . 0.0 110.372 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' ' OE2' ' B' ' 4' ' ' GLU . 79.5 m-85 -61.33 -39.01 88.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.948 . . . . 0.0 109.445 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.6 -142.81 0.14 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' LEU . 49.3 tp10 -60.0 133.35 56.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.756 -1.215 . . . . 0.0 109.644 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -98.55 119.3 37.03 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.76 118.84 46.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -128.51 -11.02 5.08 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -122.43 162.0 22.46 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.662 0.744 . . . . 0.0 110.246 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.09 -16.59 57.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.98 -45.39 89.23 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.07 -43.2 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' MET . 42.0 t -59.99 -46.68 93.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.41 -47.65 84.8 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -68.45 -35.89 78.23 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.9 -32.7 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.473 -0.767 . . . . 0.0 109.337 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.7 mmm -70.56 -41.82 71.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 108.92 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.06 -30.54 70.39 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.0 m -70.03 -39.73 75.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.908 -0.495 . . . . 0.0 110.749 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.44 -53.21 2.84 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.028 -1.045 . . . . 0.0 108.222 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.5 t0 -77.12 58.16 1.51 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.68 5.07 0.9 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.9 m-20 -77.56 -29.51 52.18 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 178.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.6 86.05 Favored Glycine 0 N--CA 1.485 1.913 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p-10 -88.45 1.89 53.88 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.88 36.23 92.49 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.19 149.57 36.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -1.03 . . . . 0.0 109.866 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -133.24 139.48 46.97 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 13.3 p30 -103.8 172.76 6.63 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.093 -1.005 . . . . 0.0 109.952 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.9 p90 -49.12 -45.62 43.83 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 109.482 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.6 tm0? -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.069 -1.02 . . . . 0.0 109.479 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 39.8 mt-10 -69.31 -40.09 77.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.092 -1.005 . . . . 0.0 109.828 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.47 -40.01 92.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.064 -1.022 . . . . 0.0 108.863 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.8 -30.38 69.79 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.852 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.7 68.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.128 -0.983 . . . . 0.0 109.741 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.02 -39.99 87.73 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.086 -1.009 . . . . 0.0 108.65 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.438 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -63.01 -46.49 96.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.298 -0.876 . . . . 0.0 108.853 179.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.06 -41.99 93.53 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.547 0.689 . . . . 0.0 109.15 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.39 -45.92 88.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.701 . . . . 0.0 110.316 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 t -79.47 -28.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.191 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 95.8 m -60.77 -39.96 90.71 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.976 -1.077 . . . . 0.0 108.533 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -65.34 -42.38 92.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.558 -0.714 . . . . 0.0 109.221 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.23 79.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.023 . . . . 0.0 108.985 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -63.73 -41.08 98.11 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.53 ' NE2' ' CE2' ' B' ' 14' ' ' PHE . 43.8 t-80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.625 -0.672 . . . . 0.0 109.721 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.186 -0.946 . . . . 0.0 108.92 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.301 -1.521 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.028 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.412 ' HG ' ' CD ' ' B' ' 4' ' ' GLU . 12.8 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.321 0.581 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.95 -35.98 74.91 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.354 -0.841 . . . . 0.0 108.916 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.68 -26.51 65.34 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.42 -0.8 . . . . 0.0 110.481 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE2' ' CD2' ' A' ' 43' ' ' PHE . 86.9 mt-10 -60.03 -49.09 79.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.021 -1.049 . . . . 0.0 110.438 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -70.01 -37.5 75.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.907 -1.121 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.44 92.05 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.918 . . . . 0.0 109.916 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtp -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.9 -1.125 . . . . 0.0 109.22 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -59.92 -40.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.5 85.32 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.881 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.62 -40.05 95.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.094 -1.003 . . . . 0.0 109.942 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.19 -42.27 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.107 -0.996 . . . . 0.0 109.723 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -69.37 -39.44 78.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.195 -0.94 . . . . 0.0 110.119 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.25 -35.96 55.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 85' ' ' HIS . 86.2 t80 -59.59 -50.03 75.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.466 -0.893 . . . . 0.0 108.653 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.663 -0.648 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.02 -46.49 89.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.973 -1.079 . . . . 0.0 111.485 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' B' ' 20' ' ' ARG . 98.9 m-85 -95.25 -26.19 16.05 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.81 -1.181 . . . . 0.0 111.1 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -65.05 -38.6 91.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.803 -1.186 . . . . 0.0 110.112 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.36 6.74 10.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 17' ' ' TYR . 18.7 mmt180 -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.072 -1.252 . . . . 0.0 109.897 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -135.93 161.0 36.85 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.379 -0.826 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . -48.43 -26.22 4.93 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 97.4 m-20 -70.34 46.56 0.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -1.184 . . . . 0.0 109.514 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' B' ' 22' ' ' GLY . 36.4 ttpt -60.16 -29.55 68.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 110.292 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.0 -36.11 74.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.072 -1.018 . . . . 0.0 110.625 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 67.8 mmtt -125.51 147.78 49.12 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.265 -0.897 . . . . 0.0 109.659 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -97.54 128.76 44.54 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 29' ' ' LYS . 37.0 ttpt -100.45 154.49 18.49 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.264 -0.898 . . . . 0.0 108.95 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.7 ptpt -44.98 -35.16 2.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.256 -0.903 . . . . 0.0 109.917 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.618 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 90.8 p -64.6 -43.91 92.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.857 -1.152 . . . . 0.0 109.14 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.618 ' N ' ' HG ' ' B' ' 30' ' ' SER . 71.5 mt-10 -68.71 -39.95 80.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 108.896 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.53 -39.83 92.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.652 0.739 . . . . 0.0 109.018 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.96 -42.41 94.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.026 -1.046 . . . . 0.0 109.439 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -67.45 -38.95 85.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.0 108.967 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.799 -0.563 . . . . 0.0 110.733 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -77.58 -42.21 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.194 -0.941 . . . . 0.0 111.537 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 39.6 p30 -70.02 -22.53 63.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.307 -1.496 . . . . 0.0 110.716 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.38 -34.55 18.74 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.903 -1.123 . . . . 0.0 112.27 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -107.83 -29.99 8.77 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.66 -1.275 . . . . 0.0 111.633 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -97.79 13.59 29.93 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.864 -1.148 . . . . 0.0 108.691 -179.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 44.3 p -44.43 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 111.15 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.38 -22.22 26.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.213 -0.93 . . . . 0.0 110.376 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 79.4 m-85 -60.92 -39.19 88.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 0.0 109.552 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.56 -142.62 0.14 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' B' ' 40' ' ' LEU . 49.5 tp10 -60.12 133.71 56.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.741 -1.225 . . . . 0.0 109.528 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -99.01 119.48 37.85 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.84 118.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -128.25 -11.11 5.23 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -122.45 162.03 22.44 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.668 0.747 . . . . 0.0 110.324 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -77.95 -16.78 57.89 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.93 -45.64 88.33 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.563 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.77 -43.26 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 57' ' ' MET . 42.8 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 44.5 t0 -61.25 -47.68 84.93 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.362 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -68.34 -35.99 78.59 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.66 -32.92 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.437 -0.79 . . . . 0.0 109.375 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.6 mmm -70.47 -41.73 72.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.009 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.0 -30.6 70.38 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -70.0 -39.65 75.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.896 -0.503 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.43 -53.31 2.82 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.022 -1.049 . . . . 0.0 108.225 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.2 t0 -76.9 58.15 1.43 Allowed 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.74 4.91 0.96 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.9 m-20 -77.48 -29.55 52.7 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.44 86.25 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 53.8 p-10 -88.44 2.14 53.34 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.67 36.0 92.02 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -143.96 149.68 37.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -1.032 . . . . 0.0 109.921 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -133.3 139.28 46.8 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 13.9 p30 -103.67 172.82 6.59 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.155 -0.966 . . . . 0.0 109.98 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.8 p90 -49.19 -45.62 44.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.445 -0.784 . . . . 0.0 109.484 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 1.6 tm0? -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 109.417 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 39.9 mt-10 -69.24 -39.98 78.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.039 -1.038 . . . . 0.0 109.982 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.54 -40.0 93.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.045 -1.034 . . . . 0.0 108.863 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.55 -30.8 70.54 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.239 -0.985 . . . . 0.0 108.993 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.14 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.111 -0.993 . . . . 0.0 109.836 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -59.96 -40.21 88.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.11 -0.994 . . . . 0.0 108.527 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.7 OUTLIER -62.85 -46.37 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 108.914 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -59.99 -42.2 93.7 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.583 0.706 . . . . 0.0 109.187 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 46.1 ttp -63.26 -46.44 86.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.549 -0.719 . . . . 0.0 110.337 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.1 -28.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.235 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 77' ' ' VAL . 99.7 m -60.95 -40.04 91.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.533 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -65.34 -42.4 92.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.569 -0.707 . . . . 0.0 109.206 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.22 79.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.071 -1.018 . . . . 0.0 109.053 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.69 -41.1 98.19 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t-80 -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.588 -0.695 . . . . 0.0 109.631 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -39.92 87.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.116 -0.99 . . . . 0.0 108.941 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 C--N 1.3 -1.545 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.101 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.635 ' N ' HD21 ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.57 -42.5 74.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.957 -1.089 . . . . 0.0 110.699 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.418 HG23 HD13 ' X' ' 10' ' ' ILE . 1.5 pt -79.56 -41.08 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 120.777 -1.202 . . . . 0.0 109.727 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.299 -1.626 0 O-C-N 121.096 -1.003 . . . . 0.0 109.21 -179.651 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.628 ' N ' HD21 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.28 -42.58 75.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.937 -1.102 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pt -79.23 -42.46 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.803 -1.185 . . . . 0.0 109.624 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.0 -39.99 87.67 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.058 -1.026 . . . . 0.0 109.513 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.571 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.66 -39.0 90.9 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.874 . . . . 0.0 108.974 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.92 -24.82 64.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 110.835 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -50.1 75.08 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.695 -1.253 . . . . 0.0 110.461 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -38.46 76.11 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.875 -1.141 . . . . 0.0 109.407 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.96 87.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.881 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.96 -40.13 87.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.888 -1.133 . . . . 0.0 108.767 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.33 -40.24 83.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.83 87.33 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.18 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.3 -40.08 92.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.041 -1.037 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -68.55 -42.87 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.148 -0.97 . . . . 0.0 110.016 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.45 -39.99 73.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.873 -1.142 . . . . 0.0 109.4 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -58.59 -34.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.97 -48.93 79.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.839 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.64 ' CE1' ' HE2' ' B' ' 85' ' ' HIS . 93.9 m-70 -78.75 -23.53 45.33 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.135 -0.978 . . . . 0.0 111.211 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.01 -45.46 92.67 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.006 -1.059 . . . . 0.0 111.523 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' OH ' ' CE2' ' A' ' 73' ' ' PHE . 42.7 p90 -105.07 -30.36 9.81 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 120.884 -1.135 . . . . 0.0 111.313 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.917 -1.115 . . . . 0.0 110.554 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.44 58.75 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 HH11 ' HG3' ' A' ' 20' ' ' ARG . 4.9 ptm180 -65.92 -40.04 91.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.611 -1.523 . . . . 0.0 109.462 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.65 165.65 20.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.181 -0.949 . . . . 0.0 109.604 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.34 -157.45 53.47 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 26' ' ' LYS . 56.3 t0 -81.29 121.23 25.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.331 -1.099 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -62.78 -29.35 70.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.369 -0.832 . . . . 0.0 109.498 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -72.62 -19.98 61.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.901 . . . . 0.0 110.663 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . 62.9 mttp -129.32 155.51 45.5 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.2 -0.938 . . . . 0.0 109.621 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.02 131.3 56.48 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 0.0 109.826 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLU . 64.8 tttm -98.17 150.94 20.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 108.654 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 12.5 ptpt -40.84 -38.41 0.93 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.398 -0.814 . . . . 0.0 109.927 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -64.94 -42.08 94.95 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' LYS . 89.3 mt-10 -69.94 -40.0 75.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.087 -1.008 . . . . 0.0 109.1 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.07 -39.0 93.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.85 . . . . 0.0 109.47 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.34 -39.98 80.9 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ASN . 54.0 tp10 -63.11 -41.39 99.34 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.2 tm? -60.03 -48.48 81.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.811 . . . . 0.0 109.328 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.36 -42.3 81.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.352 -0.842 . . . . 0.0 110.773 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -84.4 -23.33 30.1 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.943 -1.098 . . . . 0.0 111.84 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -88.17 -33.98 17.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.393 -1.442 . . . . 0.0 111.265 -177.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -92.83 -14.9 27.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.271 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -162.4 75.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.772 -1.205 . . . . 0.0 110.417 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' H ' ' HG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -87.15 -70.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.738 -1.226 . . . . 0.0 109.686 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -87.87 -33.21 18.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.175 -0.953 . . . . 0.0 111.18 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.09 -40.0 88.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.931 -1.106 . . . . 0.0 109.241 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 40' ' ' LEU . 17.9 tp -159.97 141.76 12.91 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 51.19 92.44 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.554 -0.859 . . . . 0.0 111.269 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -94.52 136.09 35.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -115.05 114.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.57 -14.13 7.83 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -124.43 156.51 37.05 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.581 0.705 . . . . 0.0 110.324 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.502 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -79.99 -13.91 58.98 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.08 -40.53 94.79 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.3 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -45.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' A' ' 57' ' ' MET . 9.3 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.054 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 52.2 m-20 -61.9 -43.85 97.99 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.227 -1.389 . . . . 0.0 110.075 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.83 -1.148 . . . . 0.0 109.121 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.6 -38.43 67.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 122.038 0.923 . . . . 0.0 108.564 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.563 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.3 tpt -70.56 -40.79 73.15 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.29 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -64.18 -39.79 94.75 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.457 0.646 . . . . 0.0 109.657 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.88 -47.73 5.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 0.0 109.256 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.2 t0 -74.72 51.2 0.47 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -66.53 -0.06 2.55 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.1 m-20 -77.34 -34.15 55.3 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.62 83.42 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.942 -2.463 . . . . 0.0 106.942 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.1 p-10 -85.09 1.69 46.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.03 30.61 74.14 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -145.89 159.69 42.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -1.102 . . . . 0.0 110.453 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.98 122.25 25.24 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.21 168.15 19.44 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.493 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -56.08 -40.03 73.0 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 108.73 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.13 -40.43 95.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.066 -1.021 . . . . 0.0 109.396 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.99 -40.91 75.04 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.01 -1.056 . . . . 0.0 109.319 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE2' ' OH ' ' A' ' 17' ' ' TYR . 2.6 t80 -63.93 -37.33 87.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.98 -33.38 71.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -27.84 66.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.241 -0.912 . . . . 0.0 110.03 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -42.66 94.64 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.756 -1.215 . . . . 0.0 108.522 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -45.1 97.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -61.58 -40.45 94.8 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.041 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.7 ttp -66.37 -45.32 80.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.124 -0.985 . . . . 0.0 109.424 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.47 -36.67 67.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.662 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -62.38 -40.0 95.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.229 -0.919 . . . . 0.0 109.257 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -40.02 71.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.76 74.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.0 110.392 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 88.6 m -61.9 -48.55 79.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 108.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.632 ' HE2' ' CE1' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.75 -39.91 90.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.678 0.751 . . . . 0.0 109.153 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.79 -39.69 85.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.64 -0.662 . . . . 0.0 109.867 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.299 -1.613 0 O-C-N 121.058 -1.026 . . . . 0.0 109.832 -179.573 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.74 -39.18 90.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 108.967 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.03 -24.72 64.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.01 -50.07 75.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.607 -1.308 . . . . 0.0 110.56 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.05 75.68 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.828 -1.17 . . . . 0.0 109.391 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 110.009 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.0 tpp -59.98 -40.28 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.952 -1.092 . . . . 0.0 108.744 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.29 -40.04 82.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.53 86.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.56 -40.08 93.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.68 -42.63 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.116 -0.99 . . . . 0.0 110.006 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.55 -39.87 73.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.905 -1.122 . . . . 0.0 109.38 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.77 -34.59 52.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.61 -49.08 79.13 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.297 -0.877 . . . . 0.0 109.826 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.632 ' CE1' ' HE2' ' A' ' 85' ' ' HIS . 94.8 m-70 -78.74 -23.47 45.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.085 -1.009 . . . . 0.0 111.318 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -45.48 92.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.0 -1.062 . . . . 0.0 111.546 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.415 ' OH ' ' CE2' ' B' ' 73' ' ' PHE . 43.0 p90 -104.93 -30.25 9.95 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 120.87 -1.143 . . . . 0.0 111.345 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.901 -1.124 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.38 11.98 59.76 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.406 HH11 ' HG3' ' B' ' 20' ' ' ARG . 4.8 ptm180 -65.51 -40.17 92.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.708 -1.466 . . . . 0.0 109.537 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.77 165.63 20.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.181 -0.949 . . . . 0.0 109.462 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.55 -157.21 53.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 26' ' ' LYS . 56.4 t0 -81.6 121.04 25.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.388 -1.066 . . . . 0.0 109.572 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.81 -29.21 70.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.819 . . . . 0.0 109.467 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -72.63 -20.01 61.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.336 -0.852 . . . . 0.0 110.631 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 23' ' ' ASP . 63.3 mttp -129.4 156.02 44.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.22 -0.925 . . . . 0.0 109.736 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -118.43 131.17 56.28 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.609 -0.682 . . . . 0.0 109.874 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' B' ' 29' ' ' LYS . 63.8 tttm -97.85 151.07 20.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 108.674 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ptpt -40.96 -38.53 0.99 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.396 -0.815 . . . . 0.0 109.878 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.8 p -64.77 -42.14 95.34 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.198 -0.939 . . . . 0.0 109.839 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 28' ' ' LYS . 89.3 mt-10 -69.92 -39.94 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.038 -1.039 . . . . 0.0 109.083 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.48 -38.24 90.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.32 -0.862 . . . . 0.0 109.481 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.74 -40.01 82.59 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 38' ' ' ASN . 54.0 tp10 -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 2.2 tm? -59.94 -48.86 79.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.447 -0.783 . . . . 0.0 109.174 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.0 110.856 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -84.32 -23.21 30.35 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.964 -1.085 . . . . 0.0 111.943 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -88.1 -34.01 18.06 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.376 -1.453 . . . . 0.0 111.176 -177.727 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -92.86 -14.96 27.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.706 -1.246 . . . . 0.0 110.295 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.7 OUTLIER -162.12 75.24 0.45 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.728 -1.233 . . . . 0.0 110.474 179.66 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.9 -70.31 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.779 -1.201 . . . . 0.0 109.739 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -88.02 -33.09 18.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.956 . . . . 0.0 111.21 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -60.01 -40.01 87.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.972 -1.08 . . . . 0.0 109.199 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.3 tp -160.12 141.9 12.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.08 92.26 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.315 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.33 136.51 34.54 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mm -115.39 114.89 47.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -14.2 7.8 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -124.57 156.49 37.3 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.564 0.697 . . . . 0.0 110.289 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -79.98 -13.99 58.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.06 -40.78 95.22 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 118.825 -1.15 . . . . 0.0 110.198 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.58 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.6 t -59.99 -49.3 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.083 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 52.9 m-20 -61.97 -43.83 98.03 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.099 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.436 ' O ' ' OG1' ' B' ' 59' ' ' THR . 58.5 tttm -69.93 -40.01 75.79 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.78 -1.168 . . . . 0.0 109.136 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.38 -38.51 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.9 tpt -70.6 -40.75 73.01 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.17 -32.17 73.64 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.742 -1.206 . . . . 0.0 107.742 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 32.3 m -63.93 -39.9 95.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.671 -0.643 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' B' ' 62' ' ' GLU . 9.8 mp -97.78 -47.64 5.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.424 -0.798 . . . . 0.0 109.265 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -74.83 51.37 0.49 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' B' ' 60' ' ' LEU . 77.3 tt0 -66.51 -0.56 2.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -77.03 -33.99 57.33 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 10.83 83.48 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.089 -2.404 . . . . 0.0 107.089 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.9 p-10 -85.11 1.67 46.82 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.92 30.9 74.55 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.1 mt-10 -146.12 159.48 43.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.46 -1.024 . . . . 0.0 110.504 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.83 122.07 25.14 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -80.47 167.7 19.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.233 -0.917 . . . . 0.0 109.333 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 3.5 p90 -55.37 -40.34 71.19 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.001 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.28 -40.14 95.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.891 -1.131 . . . . 0.0 109.428 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.92 -41.01 75.19 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.415 ' CE2' ' OH ' ' B' ' 17' ' ' TYR . 2.6 t80 -64.09 -37.31 86.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.81 -33.73 72.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -27.93 66.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.139 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.09 -42.69 95.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.188 . . . . 0.0 108.476 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -44.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.8 m -62.03 -40.4 95.6 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.986 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.2 ttp -66.19 -45.4 80.96 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.46 -36.59 67.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.689 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -62.53 -40.03 95.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.101 -0.999 . . . . 0.0 109.212 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.7 p -71.05 -39.99 71.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.52 -0.737 . . . . 0.0 110.33 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.91 -43.77 74.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.354 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.84 -48.83 78.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.64 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 54.4 t-80 -60.48 -40.0 89.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.656 0.741 . . . . 0.0 109.206 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.88 -39.62 85.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.621 -0.675 . . . . 0.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--N 1.3 -1.574 0 O-C-N 121.004 -1.06 . . . . 0.0 109.81 -179.669 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.622 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.021 0.439 . . . . 0.0 110.21 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.622 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 63.8 tttp -60.03 -45.79 91.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.057 -1.027 . . . . 0.0 110.223 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.96 -40.01 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.217 -0.927 . . . . 0.0 111.131 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 120.98 -1.075 . . . . 0.0 109.204 -178.418 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.62 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 120.961 0.41 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.62 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -60.11 -45.69 92.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.068 -1.02 . . . . 0.0 110.192 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -70.04 -40.1 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 111.027 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.86 -39.96 86.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.821 -1.175 . . . . 0.0 109.433 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.437 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -67.75 -39.96 84.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.428 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.01 -30.45 69.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.824 -1.173 . . . . 0.0 109.871 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 97.3 mt-10 -59.91 -48.94 79.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.009 -1.057 . . . . 0.0 110.468 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.92 68.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.794 -1.191 . . . . 0.0 108.975 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.02 90.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -0.865 . . . . 0.0 109.357 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.06 -40.84 90.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.132 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.98 -40.07 81.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-O 121.795 0.807 . . . . 0.0 108.902 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.55 88.76 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.658 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.49 -40.0 92.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.863 -1.148 . . . . 0.0 109.895 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.14 -41.66 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.022 -1.048 . . . . 0.0 110.365 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -64.94 -42.96 94.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.589 -1.319 . . . . 0.0 109.619 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.19 -29.65 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.41 -0.806 . . . . 0.0 108.975 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.15 -48.32 82.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.403 -0.81 . . . . 0.0 109.79 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 27.0 m-70 -77.44 -25.16 50.38 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -0.928 . . . . 0.0 111.441 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.99 -40.33 88.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.716 -1.24 . . . . 0.0 111.812 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 90.4 m-85 -107.74 -31.02 8.23 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.909 -1.119 . . . . 0.0 111.132 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -64.08 -40.0 95.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.907 -1.121 . . . . 0.0 109.987 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 1.63 88.36 Favored Glycine 0 N--CA 1.492 2.417 0 C-N-CA 120.262 -0.971 . . . . 0.0 110.74 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -66.37 -39.87 89.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.745 -1.444 . . . . 0.0 109.178 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' GLY . 99.7 mt-10 -128.38 174.14 9.58 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -57.19 -157.42 0.01 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 93.9 m-20 51.05 46.96 25.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.763 -1.434 . . . . 0.0 108.628 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -61.07 -32.94 72.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.4 -34.96 73.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 110.821 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 96.1 mttt -128.21 153.8 46.53 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.121 -0.987 . . . . 0.0 110.479 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.21 117.79 32.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.126 -0.984 . . . . 0.0 109.131 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.9 ttmm -82.38 155.28 24.8 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 29' ' ' LYS . 8.3 mtmp? -42.77 -39.48 2.48 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.215 -0.928 . . . . 0.0 110.012 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -60.09 -43.45 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.915 . . . . 0.0 110.576 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.05 -40.05 75.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.733 -1.229 . . . . 0.0 108.725 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -39.68 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.53 -42.3 91.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.265 -0.897 . . . . 0.0 109.026 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -67.99 -39.8 83.2 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -50.96 71.94 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.631 -0.668 . . . . 0.0 109.911 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.02 -42.32 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.001 -1.062 . . . . 0.0 110.018 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -70.68 -26.11 63.29 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.379 -1.451 . . . . 0.0 110.958 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.533 ' C ' HD21 ' A' ' 38' ' ' ASN . 0.2 OUTLIER -87.85 -34.09 18.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.805 -1.185 . . . . 0.0 112.003 -177.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' B' ' 4' ' ' GLU . 97.2 mt-10 -106.94 -32.85 7.71 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.859 -1.15 . . . . 0.0 111.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -99.99 19.38 16.35 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 96.7 p -44.08 -97.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 111.355 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' N ' ' OG ' ' A' ' 41' ' ' SER . 79.0 t60 -84.95 -21.87 29.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.918 . . . . 0.0 110.06 -178.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.89 -37.56 79.74 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.15 -0.968 . . . . 0.0 108.608 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mt -142.05 -158.42 0.86 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.206 -0.934 . . . . 0.0 109.28 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.66 135.17 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.134 -0.979 . . . . 0.0 110.613 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 53.1 tp10 -98.81 122.74 42.44 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.7 mm -91.05 110.01 21.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-O 121.822 0.82 . . . . 0.0 110.532 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -119.81 -12.05 9.27 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.61 145.16 48.61 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.592 0.71 . . . . 0.0 110.675 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -69.96 -22.11 63.19 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.3 pt-20 -59.97 -43.01 95.37 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.954 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.424 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 43.8 t -60.01 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.69 -41.17 89.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.501 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.99 -41.31 74.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.654 -1.219 . . . . 0.0 109.075 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -69.96 -38.33 76.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.57 -31.5 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -70.07 -42.43 72.82 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 86.1 tt0 -60.03 -34.08 72.89 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -70.15 -39.88 75.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.788 -0.57 . . . . 0.0 111.019 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.94 -52.85 2.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.6 t0 -80.72 59.7 3.74 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 45.1 mm-40 -66.05 4.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.636 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.4 m-20 -79.37 -29.84 42.29 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 105.893 -1.891 . . . . 0.0 105.893 177.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.4 11.92 81.3 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -88.11 0.01 56.53 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.93 30.13 72.38 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 108.149 -1.98 . . . . 0.0 108.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.8 mt-10 -143.43 157.11 44.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.548 -0.972 . . . . 0.0 110.291 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -130.06 122.1 27.71 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.89 167.74 20.14 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.362 -0.837 . . . . 0.0 109.255 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 28.5 p90 -55.79 -40.07 72.17 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 108.826 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.292 -0.88 . . . . 0.0 109.183 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -69.72 -38.36 76.85 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 110.414 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.24 -41.02 87.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.869 -1.144 . . . . 0.0 109.377 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.0 tpp -64.17 -31.62 72.88 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.968 -1.082 . . . . 0.0 108.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.44 -30.53 70.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.123 -0.986 . . . . 0.0 109.985 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.82 -40.08 87.21 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 108.856 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.2 t -61.63 -40.91 88.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.237 -0.915 . . . . 0.0 108.54 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -60.49 -46.46 90.03 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.477 0.656 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 ttp -65.46 -42.24 92.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.827 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.0 -29.05 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.757 -1.214 . . . . 0.0 108.901 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 29.3 m -60.64 -40.04 90.52 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.095 -1.003 . . . . 0.0 108.921 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 p -71.16 -42.38 69.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.542 -0.723 . . . . 0.0 110.947 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.99 75.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.918 -1.114 . . . . 0.0 110.284 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.06 -42.8 99.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' NE2' ' B' ' 15' ' ' HIS . 8.5 t60 -69.94 -39.86 75.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.79 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -74.19 -5.49 42.18 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.432 -0.793 . . . . 0.0 110.527 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.651 -1.28 . . . . 0.0 110.892 -178.306 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.507 ' OE2' ' NZ ' ' B' ' 5' ' ' LYS . 36.4 tp10 -67.76 -40.1 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.316 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.91 -30.55 69.11 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.826 -1.172 . . . . 0.0 109.918 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 97.1 mt-10 -59.95 -48.81 80.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.981 -1.075 . . . . 0.0 110.496 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.507 ' NZ ' ' OE2' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -70.05 -31.08 68.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.743 -1.223 . . . . 0.0 108.908 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.96 90.81 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.368 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.3 tpp -59.97 -40.89 90.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.23 -39.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.775 0.798 . . . . 0.0 108.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.08 87.06 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.691 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.75 -40.07 91.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.899 -1.126 . . . . 0.0 109.882 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.11 -41.5 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -65.07 -42.45 94.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.585 -1.322 . . . . 0.0 109.801 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.63 -29.84 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 108.928 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -58.75 -48.52 80.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.422 -0.799 . . . . 0.0 109.834 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.408 ' NE2' ' CE1' ' A' ' 85' ' ' HIS . 24.6 m-70 -77.39 -25.22 50.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.207 -0.933 . . . . 0.0 111.441 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.01 -40.49 89.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.662 -1.274 . . . . 0.0 111.785 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -107.64 -30.72 8.43 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.856 -1.152 . . . . 0.0 111.041 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -64.16 -40.07 95.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.817 -1.177 . . . . 0.0 110.053 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.25 1.52 88.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -66.32 -39.94 89.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.759 -1.436 . . . . 0.0 109.197 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 22' ' ' GLY . 99.6 mt-10 -128.36 173.95 9.74 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.505 -0.747 . . . . 0.0 108.989 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -57.06 -157.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' B' ' 26' ' ' LYS . 93.8 m-20 51.12 46.81 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.76 -1.435 . . . . 0.0 108.576 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.04 -32.94 72.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.868 . . . . 0.0 110.338 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.32 -35.0 73.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 110.752 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' B' ' 23' ' ' ASP . 93.8 mttt -128.43 153.88 46.64 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.151 -0.968 . . . . 0.0 110.487 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.16 117.98 32.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.165 -0.959 . . . . 0.0 109.108 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' B' ' 29' ' ' LYS . 18.9 ttmm -82.5 155.49 24.54 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.462 ' CB ' ' NZ ' ' B' ' 29' ' ' LYS . 8.2 mtmp? -42.86 -39.64 2.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.25 -0.906 . . . . 0.0 109.962 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.07 -43.29 95.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.06 -40.08 75.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.75 -1.219 . . . . 0.0 108.673 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -39.88 91.45 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.39 -42.42 91.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.915 . . . . 0.0 108.894 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.82 -39.98 83.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.09 -51.13 71.38 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.607 -0.683 . . . . 0.0 109.952 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.02 -42.42 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.94 -1.1 . . . . 0.0 109.97 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.62 -26.02 63.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.374 -1.454 . . . . 0.0 110.885 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.547 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -87.84 -34.37 18.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.873 -1.142 . . . . 0.0 111.966 -177.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 4' ' ' GLU . 97.1 mt-10 -107.07 -32.54 7.8 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.758 -1.214 . . . . 0.0 111.179 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -100.06 19.2 16.75 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.955 -1.091 . . . . 0.0 108.098 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.1 p -44.06 -97.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.466 -0.771 . . . . 0.0 111.46 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.515 ' N ' ' OG ' ' B' ' 41' ' ' SER . 78.4 t60 -85.18 -21.75 29.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.216 -0.928 . . . . 0.0 110.037 -178.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 108.508 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -141.85 -158.74 0.89 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.186 -0.946 . . . . 0.0 109.246 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.49 135.07 2.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.97 . . . . 0.0 110.657 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.491 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . 53.4 tp10 -98.77 122.87 42.56 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 177.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.3 mm -91.06 109.87 21.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-O 121.898 0.856 . . . . 0.0 110.503 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -119.68 -12.22 9.29 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -122.54 145.37 48.39 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.668 0.747 . . . . 0.0 110.657 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.02 -22.07 63.14 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.5 pt-20 -60.17 -42.79 95.72 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.847 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 49.4 t -60.11 -47.6 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.15 -40.81 88.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.454 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.01 -41.28 74.55 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.564 -1.254 . . . . 0.0 109.068 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.11 -38.26 75.57 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -70.79 -31.38 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.0 OUTLIER -70.03 -42.33 73.1 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.2 tt0 -60.11 -34.04 72.94 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.15 -39.78 75.15 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.234 0.54 . . . . 0.0 111.076 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.05 -52.97 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 109.177 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 24.5 t0 -80.72 59.96 3.84 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 44.6 mm-40 -66.29 4.34 0.74 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.509 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.5 m-20 -79.25 -30.1 42.98 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.68 11.79 81.13 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -88.06 0.01 56.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.8 30.42 72.58 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 108.222 -1.951 . . . . 0.0 108.222 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.8 mt-10 -143.58 156.98 44.75 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.488 -1.007 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.99 121.78 27.19 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.7 168.04 19.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.402 -0.811 . . . . 0.0 109.19 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 28.5 p90 -56.26 -40.0 73.51 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.245 -0.909 . . . . 0.0 108.804 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.598 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.8 tt0 -62.85 -40.11 96.45 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.315 -0.865 . . . . 0.0 108.925 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -69.95 -38.21 76.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.26 -0.9 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.42 87.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.844 -1.16 . . . . 0.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 55.7 tpp -64.35 -31.96 73.38 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.935 -1.103 . . . . 0.0 108.773 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.42 -30.22 69.92 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.094 -1.004 . . . . 0.0 109.904 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.96 -39.99 87.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 108.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 81' ' ' THR . 1.3 t -61.69 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.209 -0.932 . . . . 0.0 108.599 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -60.66 -46.34 90.69 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.443 0.64 . . . . 0.0 110.034 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.76 -42.0 91.43 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.742 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 t -79.97 -29.39 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.967 -1.083 . . . . 0.0 108.744 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.436 ' N ' ' O ' ' B' ' 77' ' ' VAL . 27.1 m -60.56 -40.0 90.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.069 -1.019 . . . . 0.0 108.978 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -42.34 68.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.511 -0.743 . . . . 0.0 110.973 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.77 76.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 110.334 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -42.81 99.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 15' ' ' HIS . 8.2 t60 -69.84 -39.98 76.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.544 -0.723 . . . . 0.0 109.8 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -74.06 -5.76 43.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.483 -0.761 . . . . 0.0 110.502 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.495 1.813 0 O-C-N 120.645 -1.284 . . . . 0.0 110.964 -178.284 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.34 -39.85 88.59 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 109.34 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.1 -40.35 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.302 -1.48 0 O-C-N 121.229 -0.919 . . . . 0.0 108.949 -179.11 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -39.94 89.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.293 -0.88 . . . . 0.0 109.223 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.97 -40.72 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.258 -0.901 . . . . 0.0 109.776 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.88 -39.71 86.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.277 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.346 179.779 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.362 0.601 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.99 -31.38 70.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.316 -0.865 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.62 -24.74 35.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.078 -1.014 . . . . 0.0 110.987 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 98.8 mt-10 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.767 -1.208 . . . . 0.0 110.912 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 10.6 pttp -68.48 -41.61 79.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.632 -1.292 . . . . 0.0 109.055 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 5' ' ' LYS . . . -70.31 -42.02 72.53 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.918 -0.488 . . . . 0.0 111.238 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.97 -41.64 92.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.738 -1.226 . . . . 0.0 108.332 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.54 -40.04 87.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.02 91.53 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.2 -39.95 88.34 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.037 -1.039 . . . . 0.0 108.678 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 11' ' ' ILE . 96.8 mt -67.17 -40.01 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.36 -0.838 . . . . 0.0 109.11 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -70.08 -40.35 75.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.866 -1.146 . . . . 0.0 109.166 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -39.71 81.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -49.05 -57.83 5.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.505 -0.747 . . . . 0.0 110.073 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.49 -22.75 58.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.209 -0.932 . . . . 0.0 111.33 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -55.64 -40.2 71.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.211 -0.93 . . . . 0.0 111.095 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -119.8 -24.16 6.24 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 121.129 -0.982 . . . . 0.0 110.722 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 59.7 m -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.826 -1.171 . . . . 0.0 110.308 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.99 1.91 37.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 20' ' ' ARG . 38.0 ttt-85 -60.05 -46.81 88.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -1.172 . . . . 0.0 109.622 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -167.13 172.08 10.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.383 -0.823 . . . . 0.0 108.892 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.11 -160.71 27.37 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.912 -1.117 . . . . 0.0 110.676 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 94.7 m-20 -90.27 0.88 57.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.6 -0.941 . . . . 0.0 110.467 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 4.4 tmtt? 80.3 -47.02 0.3 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.656 0.741 . . . . 0.0 109.345 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -72.51 -17.1 61.77 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.478 -0.764 . . . . 0.0 110.242 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -128.57 152.33 48.43 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.375 -0.828 . . . . 0.0 109.728 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.43 120.03 40.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.601 -0.687 . . . . 0.0 109.379 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -85.72 151.06 24.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.224 -0.922 . . . . 0.0 108.612 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.53 -39.96 8.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.459 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -39.95 87.7 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.097 -1.002 . . . . 0.0 109.265 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.037 -1.039 . . . . 0.0 109.101 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.32 -39.77 91.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.378 -0.826 . . . . 0.0 109.015 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -54.72 -40.04 68.82 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 108.631 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.97 -40.01 79.1 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.513 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.71 -50.0 75.52 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.898 . . . . 0.0 109.596 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 36' ' ' ILE . 79.8 mt -68.8 -45.7 80.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.393 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.13 -23.15 59.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.241 -1.537 . . . . 0.0 110.892 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.79 -32.94 20.07 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.616 -1.302 . . . . 0.0 110.611 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.93 -27.89 10.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.667 -1.271 . . . . 0.0 109.628 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.3 mt -116.76 35.6 4.53 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 77.3 p -44.08 -91.99 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.291 -0.88 . . . . 0.0 110.175 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.436 ' N ' ' OG ' ' A' ' 41' ' ' SER . 95.2 m-70 -103.93 3.29 33.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.466 -0.771 . . . . 0.0 109.478 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 88.4 m-85 -69.13 -40.0 78.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.224 -0.923 . . . . 0.0 109.485 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -129.05 -98.79 0.35 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.413 -0.804 . . . . 0.0 109.36 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -91.28 133.07 35.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 109.734 -179.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 86.6 tt0 -92.54 119.67 32.24 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.18 118.48 44.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-O 122.064 0.935 . . . . 0.0 110.256 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.51 -9.79 1.9 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.31 151.99 43.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.701 . . . . 0.0 110.001 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASP . 18.0 pt20 -72.78 -18.83 61.45 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 110.754 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 16.1 t -68.25 -49.15 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.5 t -61.66 -41.47 90.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.265 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' GLN . 91.4 m-20 -70.0 -42.26 73.27 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.062 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -68.52 -39.23 81.29 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.05 -34.2 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 60.2 mmm -72.15 -40.01 68.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 109.199 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.01 -27.26 66.73 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -69.95 -38.89 76.28 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' GLU . 10.2 mp -105.31 -54.79 2.43 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.106 -0.996 . . . . 0.0 108.589 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.5 t0 -70.04 55.58 0.14 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -67.24 2.14 1.77 Allowed 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.0 m-20 -79.78 -31.7 40.86 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.99 10.23 84.23 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.346 -2.302 . . . . 0.0 107.346 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.9 p-10 -83.57 0.27 47.37 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.76 32.56 78.2 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -143.99 155.61 44.09 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.362 -1.081 . . . . 0.0 110.78 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.7 122.52 29.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.11 169.88 12.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.885 -1.134 . . . . 0.0 110.217 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 4.6 m-85 -48.16 -48.56 34.27 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.517 -0.74 . . . . 0.0 109.462 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.97 -40.98 90.95 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.37 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.07 -41.33 90.87 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.695 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.67 -39.37 94.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.719 -1.238 . . . . 0.0 107.687 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.1 mmm -60.05 -38.48 82.93 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.71 71.72 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.954 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.99 -43.34 95.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.033 -1.042 . . . . 0.0 109.36 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.7 OUTLIER -59.98 -41.1 85.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -60.05 -40.43 89.38 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.718 -0.614 . . . . 0.0 109.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 41.3 mtp -66.44 -44.6 82.42 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.699 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 t -80.67 -30.05 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.08 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -65.69 -40.0 91.84 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -69.99 -39.96 75.59 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.8 79.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.427 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.67 -40.0 76.66 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 108.878 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.98 -40.5 89.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.407 -0.808 . . . . 0.0 109.882 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.78 -40.01 90.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 110.002 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.301 -1.518 0 O-C-N 120.966 -1.084 . . . . 0.0 109.015 179.716 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.421 0.629 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -68.69 -31.31 70.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.325 -0.86 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.71 -24.7 36.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.038 -1.039 . . . . 0.0 110.941 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 98.9 mt-10 -59.98 -47.93 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.749 -1.219 . . . . 0.0 110.862 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' B' ' 6' ' ' ALA . 11.3 pttp -68.56 -41.59 79.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.584 -1.322 . . . . 0.0 109.123 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' B' ' 5' ' ' LYS . . . -70.37 -42.02 72.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.891 -0.506 . . . . 0.0 111.158 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.729 -1.232 . . . . 0.0 108.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.72 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.65 93.46 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.843 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.18 -40.02 88.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.961 -1.087 . . . . 0.0 108.672 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.11 -39.97 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.87 . . . . 0.0 109.109 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.853 -1.154 . . . . 0.0 109.161 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.97 -39.51 80.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -49.16 -57.77 6.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.553 -0.717 . . . . 0.0 110.143 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -74.55 -22.77 58.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.182 -0.949 . . . . 0.0 111.441 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -55.4 -40.45 71.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.92 . . . . 0.0 111.128 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -119.65 -24.32 6.26 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.077 -1.014 . . . . 0.0 110.732 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.8 m -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.838 -1.164 . . . . 0.0 110.331 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 1.78 37.14 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -60.01 -46.78 88.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.236 -1.155 . . . . 0.0 109.701 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -167.21 172.04 10.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.397 -0.814 . . . . 0.0 108.889 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.05 -160.6 27.35 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.907 -1.121 . . . . 0.0 110.636 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 94.9 m-20 -90.37 0.99 57.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.63 -0.924 . . . . 0.0 110.525 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 4.2 tmtt? 80.27 -47.13 0.31 Allowed 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.634 0.731 . . . . 0.0 109.325 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -72.45 -17.38 61.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.592 -0.692 . . . . 0.0 110.241 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -128.59 152.66 48.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.346 -0.846 . . . . 0.0 109.8 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -112.24 120.1 40.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.685 -0.635 . . . . 0.0 109.452 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -86.14 150.99 24.03 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.26 -0.9 . . . . 0.0 108.664 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.48 -39.88 7.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.132 -0.98 . . . . 0.0 109.523 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.6 m -60.02 -40.0 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.075 -1.015 . . . . 0.0 109.183 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.06 -39.96 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 109.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.12 -39.94 91.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -54.78 -39.96 68.95 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 108.626 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.95 -40.02 79.17 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.274 -0.97 . . . . 0.0 108.541 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.79 -50.05 75.38 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.28 -0.888 . . . . 0.0 109.57 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -68.78 -45.5 80.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.4 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.0 t-20 -74.33 -23.18 59.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.276 -1.515 . . . . 0.0 110.952 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.568 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.3 OUTLIER -86.77 -32.91 20.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.632 -1.293 . . . . 0.0 110.577 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -105.81 -28.16 10.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.755 -1.216 . . . . 0.0 109.648 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' B' ' 41' ' ' SER . 27.4 mt -116.62 35.82 4.41 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 77.2 p -44.15 -91.81 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.273 -0.892 . . . . 0.0 110.213 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.433 ' N ' ' OG ' ' B' ' 41' ' ' SER . 95.4 m-70 -104.0 3.21 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.432 -0.793 . . . . 0.0 109.435 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.495 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 89.3 m-85 -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 109.497 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -129.01 -98.78 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.364 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -91.22 132.91 35.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.56 -0.712 . . . . 0.0 109.772 -179.015 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -92.33 119.66 32.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.26 118.48 44.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 122.046 0.927 . . . . 0.0 110.187 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.38 -9.8 1.94 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.503 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -124.32 152.01 43.61 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.548 -0.72 . . . . 0.0 109.959 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' B' ' 54' ' ' ASP . 18.0 pt20 -72.8 -18.77 61.44 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.726 -0.609 . . . . 0.0 110.68 -177.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' B' ' 51' ' ' GLU . 16.2 t -68.55 -48.81 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.04 -41.42 91.02 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.232 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 91.4 m-20 -70.02 -42.34 73.1 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.979 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -68.37 -39.3 81.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.98 -34.31 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.3 mmm -71.99 -40.08 68.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.0 109.211 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -27.25 66.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.47 -1.394 . . . . 0.0 107.253 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 m -70.04 -38.77 75.93 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.965 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 62' ' ' GLU . 10.1 mp -105.43 -54.84 2.42 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.164 -0.96 . . . . 0.0 108.593 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.9 t0 -70.06 55.69 0.14 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.0 mt-10 -67.46 2.46 1.74 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.7 m-20 -79.85 -31.7 40.5 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.8 10.25 84.41 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.1 p-10 -83.5 0.26 47.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.72 32.6 78.45 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.6 mt-10 -143.94 155.6 44.11 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.329 -1.101 . . . . 0.0 110.77 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -129.52 122.42 29.2 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.15 169.31 12.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.85 -1.156 . . . . 0.0 110.26 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 4.6 m-85 -47.57 -48.7 27.85 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.571 -0.705 . . . . 0.0 109.518 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -60.01 -40.72 90.22 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.373 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.37 -41.31 89.61 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.576 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.6 t80 -63.52 -39.43 94.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.721 -1.237 . . . . 0.0 107.755 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.5 mmm -60.07 -38.64 83.45 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.86 71.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.0 -1.063 . . . . 0.0 110.006 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.06 -43.03 95.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.357 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.7 OUTLIER -60.0 -41.48 86.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.9 t -60.13 -40.2 88.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.754 -0.592 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.8 mtp -66.66 -44.26 82.31 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.675 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.87 -29.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.875 -1.141 . . . . 0.0 109.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.406 ' N ' ' O ' ' B' ' 77' ' ' VAL . 94.2 m -65.65 -40.04 92.04 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 p -69.93 -40.0 75.77 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.31 78.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 50.6 t -69.97 -39.99 75.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.0 108.872 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.07 -40.27 88.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.87 -40.05 91.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.98 -1.075 . . . . 0.0 109.997 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 C--N 1.301 -1.535 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.071 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -61.11 -39.51 90.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.97 -40.06 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.566 -0.709 . . . . 0.0 110.043 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 108.406 179.842 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -61.19 -39.32 89.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.505 -0.747 . . . . 0.0 109.306 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.0 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.614 -0.679 . . . . 0.0 110.118 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.85 -38.85 83.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.694 -1.253 . . . . 0.0 108.408 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.566 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.327 -0.858 . . . . 0.0 108.931 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.93 -19.46 1.02 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.934 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.98 -50.82 72.24 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.785 -1.197 . . . . 0.0 110.086 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 6' ' ' ALA . 5.3 ptmt -71.1 -39.99 71.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.458 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.405 ' H ' ' HG3' ' A' ' 5' ' ' LYS . . . -64.3 -42.76 96.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.0 tpp -59.98 -44.65 94.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.043 . . . . 0.0 109.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.18 -40.05 82.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.495 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.05 -41.4 92.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.933 -1.105 . . . . 0.0 109.679 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.79 -41.37 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.892 -1.13 . . . . 0.0 108.758 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.5 -39.52 81.23 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.157 -0.964 . . . . 0.0 109.141 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.93 -39.92 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -47.78 -54.21 13.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.381 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' CE1' ' HE2' ' B' ' 85' ' ' HIS . 95.4 m-70 -78.65 -22.87 46.21 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.251 -0.906 . . . . 0.0 111.701 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.99 -46.21 90.2 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 111.395 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 38.4 p90 -102.39 -33.48 9.54 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.904 -1.123 . . . . 0.0 110.475 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.7 p -62.71 -39.09 92.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.046 -1.034 . . . . 0.0 111.283 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.65 1.85 65.54 Favored Glycine 0 N--CA 1.494 2.533 0 C-N-CA 119.915 -1.136 . . . . 0.0 111.315 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.608 -1.525 . . . . 0.0 110.782 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -161.73 158.28 25.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.734 -1.229 . . . . 0.0 110.086 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -164.65 51.42 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.31 140.58 31.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.479 -1.013 . . . . 0.0 109.77 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -68.36 -26.24 65.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.428 -0.795 . . . . 0.0 110.048 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.13 -35.6 69.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.842 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -124.54 160.17 28.96 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.171 -0.956 . . . . 0.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -118.95 122.62 42.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.81 -0.556 . . . . 0.0 110.86 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 79.4 tttt -86.9 148.21 25.45 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.8 ptpt -42.21 -34.85 0.82 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.192 -0.943 . . . . 0.0 110.046 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -62.37 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.921 -1.112 . . . . 0.0 108.913 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' LYS . 49.9 mt-10 -69.24 -40.02 78.13 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -52.0 -39.94 60.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 68.1 mm-40 -71.02 -40.33 71.82 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.707 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 110.571 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.12 -41.5 79.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.903 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' N ' HD13 ' A' ' 47' ' ' ILE . 12.8 t-20 -84.84 -22.39 29.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.183 -1.573 . . . . 0.0 111.079 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 38' ' ' ASN . 0.4 OUTLIER -86.81 -42.59 13.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.559 -1.338 . . . . 0.0 110.436 -178.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' OG ' ' B' ' 1' ' ' SER . 76.5 mm-40 -83.68 -37.09 23.2 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.719 -1.238 . . . . 0.0 108.622 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 45' ' ' GLU . 19.4 mt -119.57 73.73 0.97 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 45' ' ' GLU . 61.8 m -65.85 -74.68 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 109.694 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -129.57 -14.04 4.2 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.361 -0.837 . . . . 0.0 109.351 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.03 -40.81 90.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 110.603 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.11 -50.01 1.93 Allowed 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 110.138 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 41' ' ' SER . 85.2 mt-10 -130.3 132.43 45.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.378 -0.826 . . . . 0.0 111.584 -177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -115.62 117.45 30.34 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -94.14 133.79 33.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.413 1.101 . . . . 0.0 108.721 -178.405 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.2 -25.04 1.07 Allowed 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -179.128 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.54 143.92 49.89 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.633 0.73 . . . . 0.0 110.445 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.51 -17.98 63.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.9 pt-20 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.678 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 t -60.83 -51.6 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.76 -45.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.287 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.73 -39.97 84.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.874 -1.141 . . . . 0.0 109.348 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -67.8 -38.7 83.65 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.5 t -66.69 -38.01 80.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 65.3 mmm -70.68 -42.3 70.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.293 -0.879 . . . . 0.0 109.074 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.37 -30.49 69.59 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.52 -1.362 . . . . 0.0 107.854 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.988 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -106.22 -52.26 2.83 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.226 -0.921 . . . . 0.0 109.859 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.3 t0 -72.04 54.29 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.58 5.19 0.85 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.584 0.707 . . . . 0.0 109.375 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.5 m-20 -80.67 -28.79 36.7 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.53 87.55 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 107.764 -2.134 . . . . 0.0 107.764 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 p-10 -85.72 2.75 44.17 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.19 33.16 82.1 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.9 mt-10 -143.9 153.81 42.69 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.275 -1.132 . . . . 0.0 110.719 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 9.0 t -130.36 123.54 30.17 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.575 -0.703 . . . . 0.0 109.127 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.84 171.13 9.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.087 -1.008 . . . . 0.0 109.652 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 3.8 m-85 -48.31 -49.85 32.4 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.572 -0.705 . . . . 0.0 109.501 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.98 -43.61 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.01 -39.99 75.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -33.81 70.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 108.937 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.47 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.971 -1.081 . . . . 0.0 109.475 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.026 . . . . 0.0 109.239 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -40.05 82.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.125 -0.984 . . . . 0.0 108.754 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 82' ' ' THR . 78.5 p -65.16 -42.76 93.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.597 -0.689 . . . . 0.0 111.321 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ptm -69.93 -40.48 75.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.498 -1.376 . . . . 0.0 109.55 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.21 -39.59 77.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.664 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 93.1 m -67.83 -39.97 83.82 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 78' ' ' SER . 41.6 m -68.79 -40.01 79.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.58 -0.7 . . . . 0.0 109.167 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.03 78.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 111.013 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 23.2 p -65.69 -42.28 91.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.884 -1.135 . . . . 0.0 109.563 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 51.5 t-80 -60.35 -39.96 89.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 0.0 110.095 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.6 -39.99 86.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 C--N 1.3 -1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 109.214 178.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 39' ' ' GLU . 26.9 t . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.386 0.612 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.97 -40.01 87.63 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.35 -0.844 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.18 -19.27 1.12 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.013 . . . . 0.0 109.871 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.07 -50.76 72.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 110.12 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' B' ' 6' ' ' ALA . 5.9 ptmt -71.04 -39.99 71.98 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.932 -1.105 . . . . 0.0 109.526 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.4 ' H ' ' HG3' ' B' ' 5' ' ' LYS . . . -64.51 -42.6 95.7 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.415 -0.803 . . . . 0.0 110.234 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.97 -44.49 94.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.951 -1.093 . . . . 0.0 109.676 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.6 t -60.29 -40.03 82.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.61 92.35 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.31 -41.83 94.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.968 -1.082 . . . . 0.0 109.607 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.37 -41.56 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.992 -1.068 . . . . 0.0 108.723 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.49 -39.57 81.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.134 -0.979 . . . . 0.0 109.141 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.81 -39.99 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.648 ' CZ ' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -47.65 -54.37 12.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.315 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.44 -22.87 47.0 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 111.864 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.413 HE21 HH22 ' B' ' 20' ' ' ARG . 68.5 tp60 -60.04 -46.19 90.33 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 111.435 -177.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.551 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.1 p90 -102.42 -33.72 9.44 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.889 -1.132 . . . . 0.0 110.491 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.433 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 55.0 p -62.28 -39.3 92.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.029 -1.045 . . . . 0.0 111.19 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -77.08 1.04 65.01 Favored Glycine 0 N--CA 1.494 2.518 0 O-C-N 120.962 -1.086 . . . . 0.0 111.453 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.413 HH22 HE21 ' B' ' 16' ' ' GLN . 50.1 mtt-85 -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.627 -1.513 . . . . 0.0 110.871 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -161.54 158.32 26.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.686 -1.259 . . . . 0.0 110.091 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.01 -164.55 51.58 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.29 140.71 31.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.55 -0.97 . . . . 0.0 109.714 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -68.48 -26.18 65.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.409 -0.807 . . . . 0.0 110.028 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.18 -35.58 69.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.848 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -124.56 160.38 28.51 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -119.26 122.75 42.62 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.878 -0.514 . . . . 0.0 110.778 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' GLU . 80.0 tttt -87.11 148.26 25.3 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.7 ptpt -42.09 -34.87 0.79 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.258 -0.901 . . . . 0.0 110.037 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.542 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 79.6 p -62.33 -40.2 95.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.999 -1.063 . . . . 0.0 108.894 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.542 ' N ' ' HG ' ' B' ' 30' ' ' SER . 49.6 mt-10 -69.28 -40.03 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.12 -37.68 83.63 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -52.25 -39.99 61.09 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 68.4 mm-40 -70.85 -40.58 72.27 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.615 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.955 -1.09 . . . . 0.0 110.634 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.0 -41.52 79.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.872 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.419 ' N ' HD13 ' B' ' 47' ' ' ILE . 13.1 t-20 -84.81 -22.44 29.51 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.202 -1.561 . . . . 0.0 111.105 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.51 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.77 -42.6 13.19 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.541 -1.35 . . . . 0.0 110.449 -178.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -83.62 -37.21 23.18 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.636 -1.29 . . . . 0.0 108.636 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' GLU . 19.3 mt -119.5 73.69 0.97 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 45' ' ' GLU . 39.8 m -66.35 -74.09 0.12 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.931 -1.106 . . . . 0.0 109.672 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -129.3 -14.35 4.29 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.01 -40.96 91.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.391 -0.818 . . . . 0.0 110.623 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.03 -50.07 1.94 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.122 -0.986 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 41' ' ' SER . 85.2 mt-10 -130.36 132.69 45.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.297 -0.877 . . . . 0.0 111.463 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -115.96 117.25 29.62 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.419 HD13 ' N ' ' B' ' 37' ' ' ASN . 0.1 OUTLIER -93.84 133.96 33.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-O 122.428 1.108 . . . . 0.0 108.83 -178.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.533 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.31 -25.09 1.06 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -123.5 143.99 49.82 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.646 0.736 . . . . 0.0 110.366 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -69.79 -17.88 63.44 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.94 -40.14 87.94 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.704 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -60.8 -51.73 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.68 -45.69 97.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.321 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.68 -39.95 84.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 0.0 109.324 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -67.79 -38.86 83.91 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.41 -38.26 81.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.56 -42.42 71.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 109.114 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.35 -30.38 69.51 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.472 -1.392 . . . . 0.0 107.846 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.986 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.03 -52.37 2.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.237 -0.914 . . . . 0.0 109.855 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.7 t0 -72.07 54.19 0.28 Allowed 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.57 5.16 0.86 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.603 0.716 . . . . 0.0 109.337 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -80.53 -28.81 37.26 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 8.76 87.38 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.727 -2.149 . . . . 0.0 107.727 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 44.0 p-10 -86.14 3.16 43.95 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.467 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.64 33.72 85.31 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.596 -1.802 . . . . 0.0 108.596 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.3 mt-10 -144.13 153.75 42.47 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.372 -1.075 . . . . 0.0 110.681 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.6 t -130.4 123.37 29.7 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.55 171.34 9.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.648 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 3.8 m-85 -48.49 -49.7 34.71 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.564 0.697 . . . . 0.0 109.512 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -60.01 -43.68 95.08 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.841 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.97 -1.081 . . . . 0.0 109.02 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.551 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.06 -36.84 85.32 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -33.7 70.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.363 -0.836 . . . . 0.0 108.919 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.66 65.72 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.992 -1.067 . . . . 0.0 109.468 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.03 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 109.203 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -39.93 82.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.112 -0.992 . . . . 0.0 108.8 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.453 ' HG ' ' N ' ' B' ' 79' ' ' MET . 73.3 p -65.34 -42.53 92.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.453 ' N ' ' HG ' ' B' ' 78' ' ' SER . 14.3 ptm -70.03 -40.61 75.08 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.473 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.2 -39.45 76.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.624 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.417 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.4 m -67.92 -40.01 83.46 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 78' ' ' SER . 41.9 m -68.78 -39.99 79.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.627 -0.671 . . . . 0.0 109.35 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.91 78.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.243 -0.911 . . . . 0.0 110.983 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 21.9 p -65.98 -42.21 90.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.843 -1.16 . . . . 0.0 109.614 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 51.5 t-80 -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 110.127 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -39.96 86.8 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 . . . . . 0 C--N 1.3 -1.553 0 O-C-N 121.078 -1.014 . . . . 0.0 109.208 178.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.562 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.12 0.486 . . . . 0.0 110.112 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.562 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 7.2 ttpm? -60.02 -42.31 94.05 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.077 -1.014 . . . . 0.0 109.936 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.414 HD11 HG23 ' X' ' 10' ' ' ILE . 95.2 mt -70.02 -40.04 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.079 -1.013 . . . . 0.0 110.506 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.009 -1.057 . . . . 0.0 109.047 -178.85 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.594 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.081 0.467 . . . . 0.0 110.19 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.594 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 7.2 ttpm? -60.01 -42.66 94.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.094 -1.004 . . . . 0.0 109.922 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.93 -40.03 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.074 -1.016 . . . . 0.0 110.489 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -39.61 86.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.87 -1.144 . . . . 0.0 109.017 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.63 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.65 ' HG ' HD22 ' B' ' 38' ' ' ASN . 35.1 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.48 0.657 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -17.83 63.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -50.02 -23.42 2.05 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.94 -1.1 . . . . 0.0 108.733 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.23 -52.14 50.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.509 -0.744 . . . . 0.0 110.226 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.77 -29.99 65.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.92 -1.112 . . . . 0.0 110.052 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.92 45.75 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.17 -42.22 94.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.739 -1.225 . . . . 0.0 110.279 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 m -60.81 -39.26 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.09 . . . . 0.0 108.935 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.31 93.26 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.093 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.36 -41.58 93.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.198 -0.938 . . . . 0.0 108.981 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.08 -45.76 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 108.867 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -71.32 -40.06 71.02 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.234 -0.917 . . . . 0.0 109.954 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.97 -33.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CG ' ' CE2' ' A' ' 70' ' ' PHE . 89.3 t80 -59.3 -46.45 88.52 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.372 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -79.87 -22.49 42.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 111.147 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -60.1 -44.56 94.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.014 -1.054 . . . . 0.0 110.886 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -105.91 -26.89 11.51 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.108 -0.995 . . . . 0.0 110.69 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 20' ' ' ARG . 47.6 t -60.09 -39.04 84.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.46 -1.4 . . . . 0.0 109.693 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.49 3.22 6.35 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG2' HH11 ' A' ' 20' ' ' ARG . 16.9 ttt-85 -60.36 -40.16 89.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -1.143 . . . . 0.0 109.73 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 22' ' ' GLY . 97.4 mt-10 -134.45 163.61 29.3 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.332 -0.855 . . . . 0.0 109.627 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -54.69 -169.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 55.79 50.81 13.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.992 -1.299 . . . . 0.0 109.048 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.39 -25.87 66.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.642 -0.661 . . . . 0.0 110.556 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -70.13 -21.41 63.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 109.881 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -131.32 158.32 40.98 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.342 -0.849 . . . . 0.0 109.8 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.03 138.95 47.97 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.9 ttmm -103.38 154.13 19.73 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' NZ ' ' A' ' 29' ' ' LYS . 7.8 mtmp? -41.67 -42.73 2.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.382 -0.824 . . . . 0.0 109.828 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -60.81 -40.11 91.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.447 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.4 mt-10 -68.23 -39.99 82.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.183 -0.948 . . . . 0.0 109.263 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -65.45 -39.02 91.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.025 . . . . 0.0 108.536 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.64 -39.83 71.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -69.28 -40.19 77.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.34 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 17.9 tp -59.98 -49.95 75.65 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.647 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.11 -41.4 84.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 110.286 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.67 -24.58 45.05 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.822 -1.174 . . . . 0.0 110.982 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.566 ' ND2' ' HG ' ' B' ' 1' ' ' SER . 0.5 OUTLIER -88.05 -21.77 24.57 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.863 -1.148 . . . . 0.0 110.795 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 21.6 mp0 -109.0 -32.3 7.3 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.925 -1.109 . . . . 0.0 109.409 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' GLU . 22.3 mt -113.43 45.24 1.43 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.449 -0.782 . . . . 0.0 108.963 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -59.92 -53.71 54.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 109.948 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -130.33 -8.3 4.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.502 -0.749 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -62.48 -44.91 95.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.1 -1.0 . . . . 0.0 109.254 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.09 -99.59 0.33 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.568 -0.708 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -97.42 141.61 30.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.112 -0.992 . . . . 0.0 111.113 -179.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 86.2 tt0 -100.81 119.03 38.05 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 47' ' ' ILE . 21.9 mm -90.17 109.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 122.026 0.917 . . . . 0.0 110.97 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -122.33 -14.4 7.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.808 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 80.4 tt0 -124.03 137.47 54.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.631 -0.668 . . . . 0.0 109.979 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -61.63 -25.31 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.8 pt-20 -52.45 -42.07 63.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.826 . . . . 0.0 109.783 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 1.9 t -64.95 -49.84 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.2 -48.28 89.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.363 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.85 -43.74 97.93 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.171 -0.956 . . . . 0.0 109.513 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -70.03 -36.19 74.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.809 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.65 -31.31 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -70.25 -40.03 74.68 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.546 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -68.99 -39.47 79.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.748 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.95 -52.68 3.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.253 -0.904 . . . . 0.0 109.285 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.1 t0 -79.91 57.16 2.52 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -68.42 1.31 3.12 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.1 m-20 -76.43 -34.22 58.79 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 10.87 70.15 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.4 p-10 -84.47 3.15 37.66 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.12 33.95 86.12 Favored Glycine 0 N--CA 1.483 1.804 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.3 mt-10 -145.68 159.64 42.86 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.362 -1.081 . . . . 0.0 110.608 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.01 127.72 36.82 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -89.17 170.74 10.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 14' ' ' PHE . 3.1 t80 -49.57 -48.26 48.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.333 -0.854 . . . . 0.0 109.294 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -60.2 -39.98 88.44 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 110.09 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.35 -39.3 81.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.059 -1.025 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.98 -40.76 90.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 108.86 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.7 mmm -60.87 -38.82 86.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.43 70.3 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.177 -0.952 . . . . 0.0 110.396 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -59.68 -40.21 87.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.633 -1.292 . . . . 0.0 108.061 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -66.24 -40.17 86.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 107.661 -1.236 . . . . 0.0 107.661 178.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.7 t -62.57 -46.63 87.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.669 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -69.58 -40.09 76.94 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.292 -1.363 . . . . 0.0 110.019 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.64 -34.86 29.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.02 -1.05 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 51.6 m -69.26 -39.82 78.19 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' SER . 92.6 m -66.66 -40.05 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.04 94.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.065 -1.022 . . . . 0.0 109.067 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.6 t -62.1 -47.42 84.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.842 . . . . 0.0 108.962 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.15 -39.89 87.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.448 -0.782 . . . . 0.0 108.925 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.19 -40.03 88.6 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.595 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.566 ' HG ' ' ND2' ' A' ' 38' ' ' ASN . 42.6 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.426 0.631 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.2 -17.92 64.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.66 -23.38 1.7 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 108.767 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -66.64 -51.91 50.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -71.74 -30.01 65.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.965 -1.085 . . . . 0.0 109.992 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.3 -40.02 45.83 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 110.379 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.4 ttm -59.91 -42.55 94.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.888 -1.132 . . . . 0.0 110.244 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -60.88 -39.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.138 -0.977 . . . . 0.0 108.936 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.86 93.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.9 -41.24 91.74 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.218 -0.926 . . . . 0.0 108.766 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.21 -45.77 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 108.75 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.06 -40.34 71.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 0.0 110.053 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -60.13 -32.81 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.455 ' CG ' ' CE2' ' B' ' 70' ' ' PHE . 88.7 t80 -58.7 -47.18 85.44 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.272 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.57 -22.73 43.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 111.273 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.88 -44.53 94.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.96 -1.088 . . . . 0.0 110.965 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -105.82 -26.87 11.57 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.079 -1.013 . . . . 0.0 110.809 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.41 ' C ' ' H ' ' B' ' 20' ' ' ARG . 47.7 t -60.21 -38.97 84.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.408 -1.432 . . . . 0.0 109.801 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.61 2.88 6.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' B' ' 20' ' ' ARG . 17.4 ttt-85 -60.21 -39.86 88.08 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.359 -1.083 . . . . 0.0 109.672 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 22' ' ' GLY . 96.6 mt-10 -134.26 163.28 29.99 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.384 -0.823 . . . . 0.0 109.518 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.05 -169.11 0.05 OUTLIER Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 56.11 50.47 13.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -1.227 . . . . 0.0 108.942 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.08 -26.35 66.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.608 -0.683 . . . . 0.0 110.619 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -69.96 -21.12 63.28 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.921 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.25 158.11 41.46 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.3 -0.875 . . . . 0.0 109.755 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -111.9 139.06 47.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.6 ttmm -103.39 154.12 19.75 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' B' ' 29' ' ' LYS . 7.8 mtmp? -41.89 -43.21 2.97 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.385 -0.822 . . . . 0.0 109.609 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -60.45 -40.09 89.89 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 109.693 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 46.9 mt-10 -68.12 -39.87 82.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 109.337 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.8 -39.71 94.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.186 -0.946 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.58 -39.92 71.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 38' ' ' ASN . 50.1 tp10 -68.95 -40.72 78.77 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.526 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 tp -59.91 -50.03 75.39 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.83 -41.36 84.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 O-C-N 120.771 -1.206 . . . . 0.0 110.408 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.74 -24.62 44.71 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.0 110.929 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.65 HD22 ' HG ' ' A' ' 1' ' ' SER . 0.5 OUTLIER -87.94 -21.68 24.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.797 -1.189 . . . . 0.0 110.939 -178.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 22.8 mp0 -109.39 -31.78 7.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.929 -1.107 . . . . 0.0 109.383 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' B' ' 45' ' ' GLU . 22.5 mt -113.68 44.85 1.53 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -59.97 -53.67 55.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.915 -1.115 . . . . 0.0 109.973 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -130.23 -8.23 4.28 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.411 -0.806 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -62.6 -44.73 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 109.393 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.1 -99.64 0.33 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.518 -0.739 . . . . 0.0 109.117 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 0.7 OUTLIER -97.75 142.55 29.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.08 -1.012 . . . . 0.0 110.982 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -101.25 119.37 38.65 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.424 HG21 HD12 ' B' ' 47' ' ' ILE . 22.1 mm -90.22 110.04 21.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.995 0.902 . . . . 0.0 110.852 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -122.47 -14.1 7.88 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.7 tt0 -123.88 137.83 54.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.613 -0.68 . . . . 0.0 109.915 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -62.26 -25.21 67.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.355 -0.84 . . . . 0.0 110.065 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -52.37 -42.5 64.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.852 . . . . 0.0 109.651 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.459 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 1.6 t -64.56 -49.75 79.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.39 -48.13 90.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.72 -44.39 96.69 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.323 -0.86 . . . . 0.0 109.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -69.77 -35.73 75.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.244 -0.91 . . . . 0.0 109.09 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.26 -31.08 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.574 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.2 OUTLIER -70.26 -40.2 74.52 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.459 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.03 -31.74 70.25 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -39.31 78.31 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -102.79 -52.93 2.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 109.162 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.2 t0 -79.78 57.08 2.44 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -68.2 1.08 3.09 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.2 m-20 -76.24 -34.61 59.19 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.09 69.54 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.0 p-10 -84.5 3.23 37.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.06 33.81 85.5 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.534 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.3 mt-10 -145.58 159.56 42.95 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.369 -1.077 . . . . 0.0 110.834 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -132.0 127.7 36.81 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -89.25 170.72 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.451 -0.781 . . . . 0.0 109.508 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE2' ' CG ' ' B' ' 14' ' ' PHE . 3.3 t80 -49.6 -48.27 49.02 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.326 -0.859 . . . . 0.0 109.225 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.1 -39.8 87.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 110.114 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.79 -38.85 80.28 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.956 -1.09 . . . . 0.0 109.388 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.04 -41.44 92.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 108.526 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.25 -38.91 84.95 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.9 70.85 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.211 -0.93 . . . . 0.0 110.475 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -59.66 -40.04 86.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.799 -1.188 . . . . 0.0 108.086 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.447 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER -66.39 -40.29 86.27 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.444 ' O ' ' OG1' ' B' ' 82' ' ' THR . 22.9 t -62.35 -46.93 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.63 -178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -69.42 -40.0 77.54 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.008 -1.477 . . . . 0.0 110.05 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.55 -34.69 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.935 -1.103 . . . . 0.0 108.342 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 52.1 m -69.36 -39.91 77.81 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 78' ' ' SER . 93.7 m -66.87 -40.09 87.72 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.467 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.92 94.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.152 -0.968 . . . . 0.0 109.074 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.04 -47.2 85.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 108.985 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.24 -40.06 88.92 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -39.84 88.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.3 -1.581 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.5 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.55 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.55 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 62.7 tttp -59.92 -49.97 75.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 0.0 110.213 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.47 -24.8 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.301 -1.543 0 O-C-N 121.149 -0.97 . . . . 0.0 109.808 -178.881 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.559 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.605 0.717 . . . . 0.0 109.068 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.559 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -59.92 -49.84 76.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.75 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -70.25 -24.81 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.32 -39.86 84.45 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.247 -0.908 . . . . 0.0 109.777 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.63 -179.695 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.329 0.585 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 4' ' ' GLU . 98.1 mt-10 -60.97 -36.38 79.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 109.818 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.32 -23.79 0.64 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 108.735 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.3 tt0 -67.91 -59.24 3.44 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.827 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.67 ' NZ ' ' HZ1' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -70.1 -33.42 71.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.119 -0.988 . . . . 0.0 109.607 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.99 92.01 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.085 -1.009 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.7 ttm -60.6 -40.28 91.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.007 -1.058 . . . . 0.0 109.183 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.02 -40.49 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.76 87.08 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.404 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.89 -41.27 95.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.043 -1.036 . . . . 0.0 109.661 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -40.38 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.993 -1.067 . . . . 0.0 108.907 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.94 75.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.62 -35.83 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.22 -49.41 76.11 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.976 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.782 ' NE2' ' HE2' ' B' ' 85' ' ' HIS . 37.8 m170 -80.8 -22.59 39.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.08 -1.013 . . . . 0.0 111.156 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -59.62 -42.49 92.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.117 -0.989 . . . . 0.0 112.009 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.528 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 32.8 p90 -110.26 -30.98 7.48 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.86 -1.15 . . . . 0.0 111.038 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 56.7 p -62.09 -41.56 98.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.972 -1.08 . . . . 0.0 111.05 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -90.35 13.55 64.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' CD ' ' OE2' ' A' ' 34' ' ' GLU . 31.2 ttt-85 -68.81 -42.74 76.87 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.671 -1.488 . . . . 0.0 109.824 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -162.48 156.29 20.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.702 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.24 -151.83 35.39 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.75 116.05 21.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -1.065 . . . . 0.0 110.114 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -67.41 -26.39 66.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.543 -0.723 . . . . 0.0 109.971 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.55 -35.67 73.24 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.233 -0.917 . . . . 0.0 111.661 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -129.53 155.65 45.43 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.08 -1.013 . . . . 0.0 109.697 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -104.95 128.89 53.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.549 -0.72 . . . . 0.0 110.506 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' LYS . 31.9 ttpt -100.47 148.87 24.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.5 ptmt -40.65 -40.59 1.32 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.692 -0.63 . . . . 0.0 111.121 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.665 -1.272 . . . . 0.0 110.601 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.947 -1.096 . . . . 0.0 108.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.44 -37.95 89.27 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.388 -0.82 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.77 -40.02 72.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.753 -1.217 . . . . 0.0 107.738 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' ASN . 85.2 tt0 -66.53 -40.25 89.01 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.269 -0.972 . . . . 0.0 108.487 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.2 tm? -60.05 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.432 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.932 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 35.2 t30 -80.55 -23.11 40.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.754 -1.216 . . . . 0.0 111.675 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t30 -89.03 -27.31 20.93 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.836 -1.165 . . . . 0.0 111.329 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 19.4 mp0 -101.77 -24.93 13.99 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.87 -1.144 . . . . 0.0 108.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 45' ' ' GLU . 16.3 mt -123.64 46.65 2.18 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -43.63 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -122.66 14.63 10.17 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.477 -0.764 . . . . 0.0 109.949 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.6 m-85 -68.67 -39.95 80.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.001 -1.062 . . . . 0.0 110.055 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.48 -35.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.783 -1.198 . . . . 0.0 109.947 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' LEU . 90.9 mt-10 -119.51 117.5 28.58 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.299 -0.876 . . . . 0.0 110.153 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -107.75 121.82 45.49 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -103.78 122.61 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 122.298 1.047 . . . . 0.0 109.95 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.63 -13.28 1.73 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -124.51 157.86 34.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.492 -0.755 . . . . 0.0 110.392 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.54 -20.93 49.57 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.08 -41.11 91.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 110.102 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 t -64.39 -46.3 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.13 -44.73 98.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.136 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.12 -42.67 96.77 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.807 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -37.51 75.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.154 -0.966 . . . . 0.0 108.998 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.1 t -68.06 -35.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.706 -0.621 . . . . 0.0 109.467 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.7 mmm -70.22 -39.96 74.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.053 -1.029 . . . . 0.0 109.898 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.87 -27.55 66.78 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.401 -1.437 . . . . 0.0 107.27 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -72.57 -35.32 67.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.988 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.7 mt -103.57 -58.7 1.83 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.8 t0 -69.51 56.84 0.12 Allowed 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 95.7 mt-10 -66.54 6.18 0.49 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.608 0.718 . . . . 0.0 109.47 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.7 m-20 -93.62 -29.05 15.66 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.2 85.17 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 36.3 p-10 -79.46 1.65 24.81 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.42 31.33 71.2 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 107.908 -2.077 . . . . 0.0 107.908 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.7 mt-10 -143.39 155.65 44.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.548 -0.972 . . . . 0.0 110.057 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 2.8 t -132.7 126.73 33.22 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -84.99 170.05 13.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.016 -1.052 . . . . 0.0 109.565 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 14.1 p90 -54.77 -43.21 72.58 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.566 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -63.38 -40.74 98.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.62 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.33 -39.94 77.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 110.684 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -67.85 -37.57 82.02 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.5 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.58 -34.63 74.47 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 109.099 -179.027 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -29.74 68.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.146 -0.971 . . . . 0.0 110.117 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.76 -40.81 89.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.01 -1.056 . . . . 0.0 108.678 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.96 -43.07 91.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.443 -0.786 . . . . 0.0 108.947 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -60.15 -44.1 95.23 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.604 -0.685 . . . . 0.0 109.826 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.3 -45.3 95.04 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.097 -1.041 . . . . 0.0 109.449 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.4 -38.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.6 m -61.23 -40.15 92.94 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.9 m -67.57 -41.02 84.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.27 73.27 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.274 -0.891 . . . . 0.0 109.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -61.06 -40.24 92.92 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.156 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.787 ' HE2' ' NE2' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.28 -38.02 82.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.127 -0.983 . . . . 0.0 109.615 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.57 -31.01 65.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 108.7 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -51.61 -32.75 30.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.8 116.71 25.07 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.224 -0.923 . . . . 0.0 108.918 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -99.29 -162.11 0.93 Allowed 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -60.06 -40.26 88.86 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.461 -0.774 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.357 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 4' ' ' GLU . 98.7 mt-10 -60.75 -35.37 76.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.9 -22.16 0.79 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.909 -1.119 . . . . 0.0 108.872 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.0 tt0 -68.83 -59.29 3.19 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.619 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.67 ' HZ1' ' NZ ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -70.01 -33.78 72.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 109.571 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.75 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.869 -1.145 . . . . 0.0 109.71 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 59.4 ttm -60.45 -40.43 91.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.05 -40.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.75 91.27 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.368 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.86 -41.14 97.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.912 -1.117 . . . . 0.0 109.602 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -40.52 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.897 -1.127 . . . . 0.0 108.88 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.02 -39.78 75.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.45 -36.61 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -56.64 -49.43 75.04 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 109.86 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.787 ' NE2' ' HE2' ' A' ' 85' ' ' HIS . 38.3 m170 -80.93 -22.23 39.84 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.898 -1.126 . . . . 0.0 111.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.08 -42.32 94.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 0.0 111.814 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 32.3 p90 -110.18 -31.01 7.49 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.927 -1.108 . . . . 0.0 111.116 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -61.73 -41.71 97.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.056 -1.028 . . . . 0.0 110.95 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.27 13.28 65.51 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.411 ' CD ' ' OE2' ' B' ' 34' ' ' GLU . 27.9 ttt-85 -69.16 -42.83 75.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.893 -1.357 . . . . 0.0 109.845 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -161.94 156.67 22.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.333 -0.854 . . . . 0.0 109.664 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.04 -151.36 35.12 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -82.3 115.56 21.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -1.085 . . . . 0.0 110.146 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -67.11 -26.29 66.63 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.432 -0.792 . . . . 0.0 110.116 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.58 -35.84 73.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 111.471 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -129.48 155.83 45.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.131 -0.981 . . . . 0.0 109.549 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.0 mt -105.15 128.28 53.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.635 -0.666 . . . . 0.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -99.37 149.04 23.56 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -40.79 -40.71 1.4 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.0 m -61.71 -43.52 98.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.518 -1.364 . . . . 0.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.13 -39.81 75.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.849 -1.157 . . . . 0.0 108.943 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -38.25 90.44 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.517 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.78 -39.88 71.85 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 38' ' ' ASN . 84.7 tt0 -66.74 -40.31 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.446 -0.901 . . . . 0.0 108.614 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 2.1 tm? -59.87 -49.98 75.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.351 -0.843 . . . . 0.0 109.254 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.72 -43.45 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -80.44 -23.48 40.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.855 -1.153 . . . . 0.0 111.619 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -88.64 -27.61 21.18 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.778 -1.201 . . . . 0.0 111.468 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 20.8 mp0 -101.99 -24.37 14.0 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.854 -1.154 . . . . 0.0 108.977 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' B' ' 45' ' ' GLU . 18.0 mt -124.41 46.64 2.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -44.05 -80.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.294 -0.879 . . . . 0.0 110.675 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -122.84 15.14 10.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.396 -0.815 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.449 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 88.2 m-85 -69.38 -40.17 77.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.784 -1.198 . . . . 0.0 109.939 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 -35.54 0.09 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.84 -1.163 . . . . 0.0 110.099 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 40' ' ' LEU . 91.5 mt-10 -119.51 117.28 27.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.497 -0.752 . . . . 0.0 110.354 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -107.21 122.1 45.85 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mm -104.73 122.45 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 122.294 1.045 . . . . 0.0 109.864 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.489 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.85 -12.55 1.71 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.81 157.77 35.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.519 -0.738 . . . . 0.0 110.354 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.8 -20.73 49.09 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -60.04 -41.47 92.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.572 -0.705 . . . . 0.0 110.048 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 t -63.88 -46.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.15 -44.85 99.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.132 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.01 -42.51 97.12 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.9 -1.12 . . . . 0.0 109.88 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.07 -37.52 75.49 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.203 -0.936 . . . . 0.0 108.901 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.1 t -68.13 -35.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 109.506 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -70.38 -39.94 74.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.059 -1.026 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.78 -27.79 66.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.418 -1.426 . . . . 0.0 107.201 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -72.4 -35.42 68.41 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.08 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 62' ' ' GLU . 11.2 mt -103.22 -58.69 1.83 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -69.42 56.8 0.12 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 60' ' ' LEU . 97.6 mt-10 -66.68 6.75 0.43 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.389 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.564 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.7 m-20 -93.94 -29.25 15.36 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.34 9.88 85.35 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.545 -1.822 . . . . 0.0 108.545 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.3 p-10 -79.79 2.25 23.71 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.548 -0.972 . . . . 0.0 108.493 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.93 30.97 72.25 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.8 mt-10 -142.89 155.5 44.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.56 -0.965 . . . . 0.0 110.067 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 2.0 t -132.49 126.97 34.2 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.45 169.92 13.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.504 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 14.0 p90 -54.53 -43.27 71.79 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.561 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.9 tt0 -63.23 -40.55 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.799 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.65 -39.83 76.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.975 -1.078 . . . . 0.0 110.502 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -67.79 -37.78 82.49 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.889 0.852 . . . . 0.0 109.162 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.506 ' O ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.9 -33.95 73.91 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.319 -0.863 . . . . 0.0 109.11 -178.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.52 -29.52 68.12 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.229 -0.919 . . . . 0.0 110.154 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.83 -40.67 89.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.959 -1.088 . . . . 0.0 108.682 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.88 -43.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.41 -0.806 . . . . 0.0 108.827 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -60.26 -44.21 95.49 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.641 -0.662 . . . . 0.0 109.939 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.55 -45.14 95.43 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.153 -1.019 . . . . 0.0 109.429 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.46 -37.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -61.57 -39.95 92.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.213 -0.929 . . . . 0.0 108.702 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 m -68.08 -40.64 82.62 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.178 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.72 73.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.281 -0.887 . . . . 0.0 109.743 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.31 -40.5 94.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.343 -0.848 . . . . 0.0 109.052 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.782 ' HE2' ' NE2' ' A' ' 15' ' ' HIS . 54.6 t-80 -60.11 -38.66 83.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -56.86 -31.55 64.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.12 -34.04 29.09 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.133 -0.98 . . . . 0.0 109.135 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -85.87 117.15 24.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.085 -1.009 . . . . 0.0 108.97 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.53 -161.82 0.9 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -60.41 -39.83 88.77 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.479 -0.763 . . . . 0.0 109.703 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.299 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -137.26 130.93 31.61 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.347 -0.846 . . . . 0.0 109.019 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p -139.61 161.04 38.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.563 -0.711 . . . . 0.0 109.411 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' X' ' 5' ' ' ILE . 20.2 ttmt -113.42 140.77 47.8 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.691 -0.63 . . . . 0.0 109.431 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.476 ' O ' ' O ' ' X' ' 4' ' ' LYS . 1.1 pt -61.13 -134.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -142.53 120.55 12.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.754 -1.216 . . . . 0.0 111.104 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -40.19 91.88 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -60.25 -41.42 93.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 110.821 -178.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.29 -39.95 88.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.894 -1.128 . . . . 0.0 108.767 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.96 -40.52 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.785 . . . . 0.0 110.834 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.15 -40.02 88.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.875 -1.141 . . . . 0.0 109.448 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.284 -179.749 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.881 0.372 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -136.08 131.3 34.66 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.218 -0.926 . . . . 0.0 109.05 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 47.0 p -139.76 160.71 39.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.555 -0.716 . . . . 0.0 109.641 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 20.6 ttmt -112.88 141.21 46.96 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.478 -0.764 . . . . 0.0 109.533 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 1.0 OUTLIER -61.56 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.885 . . . . 0.0 108.718 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -142.77 120.94 12.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.745 -1.222 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -40.31 90.61 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -59.91 -41.64 92.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.956 -1.09 . . . . 0.0 108.897 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.403 HG21 HD11 ' Y' ' 10' ' ' ILE . 96.9 mt -70.29 -40.69 78.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.533 -0.729 . . . . 0.0 110.779 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.09 -39.27 85.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.899 -1.126 . . . . 0.0 109.374 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 43.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.468 -179.747 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.78 -39.89 91.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.14 -0.975 . . . . 0.0 108.838 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.84 -22.55 25.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.144 -0.973 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 49.0 tp10 -59.76 -52.69 64.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -74.29 -40.76 62.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.759 -1.213 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.35 97.35 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.078 -1.013 . . . . 0.0 110.288 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.1 ttm -60.3 -41.12 92.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.614 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.28 -40.15 82.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-O 122.012 0.911 . . . . 0.0 109.142 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.38 98.96 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.441 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.5 -40.05 95.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.38 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.894 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.69 -39.9 76.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.727 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.66 -36.02 58.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.99 -49.86 76.01 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.975 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' HE2' ' CD2' ' B' ' 85' ' ' HIS . 45.1 m80 -81.21 -24.13 37.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.054 -1.029 . . . . 0.0 111.533 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.96 -43.83 94.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.234 -0.916 . . . . 0.0 112.449 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 39.7 p90 -109.95 -30.07 7.97 Favored 'General case' 0 N--CA 1.514 2.734 0 O-C-N 120.802 -1.186 . . . . 0.0 110.879 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -59.75 -39.94 86.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.984 -1.072 . . . . 0.0 110.23 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.18 10.18 59.01 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 65.1 ttt180 -65.71 -42.09 91.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.754 -1.439 . . . . 0.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 20.4 pt-20 -161.6 165.17 28.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 109.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.9 -152.68 51.57 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.846 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.36 133.13 37.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.556 -0.967 . . . . 0.0 110.433 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.37 -39.92 77.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.83 -18.9 60.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.745 -0.597 . . . . 0.0 112.206 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 48.5 mttm -129.7 157.65 41.54 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.862 -1.149 . . . . 0.0 110.588 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.9 mt -117.51 138.96 51.54 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.929 -0.482 . . . . 0.0 109.811 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' GLU . 82.0 tttt -109.42 148.35 31.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ptmt -39.44 -38.53 0.57 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.495 -0.753 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.6 p -61.59 -42.68 99.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.091 -1.006 . . . . 0.0 109.643 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 81.5 mt-10 -69.57 -39.31 77.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.022 -1.049 . . . . 0.0 108.459 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.86 -40.01 93.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.84 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -54.36 -40.11 67.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ASN . 53.7 tp10 -69.84 -40.01 76.1 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.76 -51.8 68.19 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.407 -0.808 . . . . 0.0 110.247 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.26 -40.32 86.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.371 -0.831 . . . . 0.0 109.371 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OG ' ' A' ' 41' ' ' SER . 20.7 t30 -79.1 -22.74 44.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.876 -1.14 . . . . 0.0 110.189 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.33 -27.31 24.38 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 110.44 -179.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -108.9 -33.93 6.79 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.088 -1.007 . . . . 0.0 109.13 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -114.66 51.4 0.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 7.2 m -59.65 -62.15 2.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.115 -0.991 . . . . 0.0 109.831 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -129.63 -5.64 4.66 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 54.0 t80 -60.45 -40.79 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 0.0 109.168 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.9 mt -127.91 -98.83 0.37 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.469 -0.769 . . . . 0.0 109.343 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -93.6 141.54 28.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.39 -0.819 . . . . 0.0 109.412 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 87.9 tt0 -100.26 118.29 36.25 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 47' ' ' ILE . 34.1 mm -90.92 109.64 21.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-O 122.169 0.985 . . . . 0.0 109.762 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -13.63 8.1 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 43.5 mt-10 -122.15 144.51 48.9 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.564 0.697 . . . . 0.0 110.379 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.69 -20.37 63.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.06 -42.7 95.1 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.993 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' VAL . 9.5 t -61.2 -49.97 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.46 -43.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.994 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -62.92 -46.78 86.2 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 118.73 -1.188 . . . . 0.0 108.607 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -70.09 -37.91 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.59 0.709 . . . . 0.0 109.515 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' VAL . 40.8 t -77.08 -30.4 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.9 tpt -70.25 -40.37 74.44 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.64 -28.23 68.41 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 m -67.61 -27.29 66.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.747 -0.596 . . . . 0.0 109.443 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.97 -45.29 4.2 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' C ' ' H ' ' A' ' 63' ' ' ASP . 52.2 t0 -82.73 59.41 4.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.35 0.64 1.37 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -87.77 -33.33 18.7 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.15 12.97 82.66 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.6 p-10 -82.88 7.33 15.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.93 38.35 92.79 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 76.2 tt0 -146.79 152.47 38.83 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.3 -1.118 . . . . 0.0 111.001 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 t -132.03 110.95 11.09 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.93 166.18 22.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.854 -1.154 . . . . 0.0 110.051 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 26.3 p90 -52.65 -41.35 63.71 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.48 -0.763 . . . . 0.0 109.158 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 66.3 tt0 -63.25 -41.21 99.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -70.34 -40.15 74.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.174 -0.954 . . . . 0.0 110.287 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -65.44 -38.79 90.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 108.699 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.91 -32.55 70.86 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.413 -0.804 . . . . 0.0 109.03 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -69.47 -29.72 67.46 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.978 -1.076 . . . . 0.0 109.787 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.7 -42.61 84.05 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.8 OUTLIER -60.1 -44.41 95.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 16.3 p -60.54 -44.79 95.71 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.4 ttp -61.27 -47.07 87.72 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.325 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 t -78.81 -28.63 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.845 -1.159 . . . . 0.0 109.472 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 97.0 m -64.85 -40.16 94.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.965 -1.084 . . . . 0.0 108.973 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 p -66.54 -39.42 88.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.677 -0.64 . . . . 0.0 110.079 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.51 90.14 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.692 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.64 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.043 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.598 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 13.7 t-80 -63.18 -39.49 94.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.298 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.518 -0.739 . . . . 0.0 109.578 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -63.09 108.24 1.2 Allowed 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.574 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.76 122.95 40.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -64.06 98.86 0.23 Allowed 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.459 0.647 . . . . 0.0 109.366 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -60.79 -41.93 96.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.339 -0.851 . . . . 0.0 108.881 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 59.1 mp0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.107 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.18 -39.91 90.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.967 -1.083 . . . . 0.0 108.898 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.7 -22.3 22.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 48.7 tp10 -59.96 -52.92 63.33 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.832 -1.168 . . . . 0.0 110.221 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -74.09 -39.99 63.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.769 -1.207 . . . . 0.0 110.594 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.16 95.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.091 -1.005 . . . . 0.0 110.161 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.18 -40.95 91.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.595 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.45 -40.04 82.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.009 0.909 . . . . 0.0 109.042 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.77 98.32 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.473 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.77 -40.39 95.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.0 110.401 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -40.19 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.071 -1.018 . . . . 0.0 108.808 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -70.08 -40.01 75.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.94 -1.1 . . . . 0.0 109.672 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 t -58.61 -36.2 58.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.65 -50.02 75.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 110.119 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.598 ' HE2' ' CD2' ' A' ' 85' ' ' HIS . 44.6 m80 -80.98 -23.87 38.43 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.985 -1.072 . . . . 0.0 111.3 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.94 -43.53 94.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 112.543 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.444 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.4 p90 -110.55 -29.94 7.84 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 120.921 -1.112 . . . . 0.0 110.846 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -59.86 -40.12 87.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.984 -1.072 . . . . 0.0 110.185 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.65 10.22 60.15 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.844 -1.169 . . . . 0.0 110.188 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.57 -41.67 92.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.856 -1.379 . . . . 0.0 109.627 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.474 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.8 pt-20 -161.57 164.44 29.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.263 -0.898 . . . . 0.0 109.476 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.83 -152.19 50.07 Favored Glycine 0 N--CA 1.492 2.375 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.957 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.79 132.58 36.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.907 . . . . 0.0 110.36 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.88 -39.92 79.52 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.996 0.903 . . . . 0.0 108.82 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -73.93 -19.4 60.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.878 -0.514 . . . . 0.0 112.102 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -129.34 157.73 41.1 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.925 -1.109 . . . . 0.0 110.621 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.93 139.24 50.88 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.713 -0.617 . . . . 0.0 109.72 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 29' ' ' LYS . 81.7 tttt -109.55 148.39 31.32 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.4 ptmt -39.81 -38.41 0.66 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.3 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.468 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 84.1 mt-10 -69.63 -39.22 77.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.074 -1.016 . . . . 0.0 108.553 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.0 -39.7 93.15 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.384 -0.822 . . . . 0.0 109.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -54.59 -40.05 68.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.032 . . . . 0.0 108.28 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 38' ' ' ASN . 53.6 tp10 -70.15 -39.74 75.16 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.75 -51.75 68.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.306 -0.871 . . . . 0.0 110.078 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.08 -41.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.511 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' OG ' ' B' ' 41' ' ' SER . 18.5 t30 -78.62 -22.11 47.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.982 -1.074 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.38 -27.57 24.14 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.883 -1.136 . . . . 0.0 110.335 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -108.7 -34.21 6.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.936 -1.103 . . . . 0.0 109.458 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.6 mt -114.69 52.08 0.86 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 10.6 m -60.31 -62.3 1.97 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.079 -1.013 . . . . 0.0 109.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -129.55 -5.65 4.71 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.417 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 52.0 t80 -60.15 -41.17 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.458 ' O ' ' NZ ' ' Y' ' 4' ' ' LYS . 78.4 mt -128.0 -98.19 0.38 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.438 -0.789 . . . . 0.0 109.224 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -93.8 141.31 28.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.443 -0.786 . . . . 0.0 109.36 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 88.5 tt0 -100.58 117.87 35.58 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.421 HG23 HD13 ' B' ' 47' ' ' ILE . 34.9 mm -90.41 109.33 20.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-O 122.151 0.977 . . . . 0.0 109.778 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 -13.23 8.28 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.22 144.21 49.11 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.667 0.746 . . . . 0.0 110.369 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.39 -20.51 63.81 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.43 -42.34 95.84 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.79 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' B' ' 56' ' ' VAL . 10.5 t -61.45 -50.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.9 t -60.22 -43.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.121 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -62.26 -47.37 84.64 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.517 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -70.05 -37.37 75.51 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.411 0.624 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' B' ' 52' ' ' VAL . 38.9 t -77.58 -30.52 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.8 tpt -69.93 -40.78 75.31 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.55 -27.89 68.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -27.31 66.54 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.519 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.98 -45.21 4.22 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' B' ' 63' ' ' ASP . 51.2 t0 -82.59 59.04 4.48 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.02 0.73 1.13 Allowed 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' B' ' 61' ' ' ASP . 86.8 m-20 -88.27 -33.05 18.2 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.1 12.43 83.3 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 47.2 p-10 -81.98 6.9 14.61 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.53 37.83 90.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 76.6 tt0 -146.7 152.32 38.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -1.156 . . . . 0.0 111.239 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -131.33 111.72 12.12 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.61 165.2 23.16 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.94 -1.1 . . . . 0.0 109.992 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.1 p90 -51.62 -42.02 61.7 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 109.123 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 66.6 tt0 -62.9 -41.31 99.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.256 -0.903 . . . . 0.0 108.984 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.26 -40.04 74.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.965 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 0.7 OUTLIER -65.49 -38.47 89.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.939 -1.101 . . . . 0.0 108.748 179.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.2 tpt -60.05 -32.68 71.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.447 -0.783 . . . . 0.0 108.983 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.53 -29.71 67.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.982 -1.074 . . . . 0.0 109.864 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.8 -42.21 83.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.0 OUTLIER -60.13 -44.92 96.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -60.29 -44.75 95.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 ttp -60.93 -46.98 88.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.555 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 t -78.83 -28.87 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.923 -1.111 . . . . 0.0 109.574 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.4 m -64.79 -39.95 94.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.068 -1.02 . . . . 0.0 108.978 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.4 p -66.92 -39.17 87.29 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.567 -0.708 . . . . 0.0 110.008 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.72 90.41 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.428 -0.795 . . . . 0.0 109.571 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.66 -44.49 96.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.028 -1.045 . . . . 0.0 109.083 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.642 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 12.7 t-80 -61.61 -39.82 92.61 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.611 0.719 . . . . 0.0 109.279 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.93 -39.69 86.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.646 -0.659 . . . . 0.0 109.892 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.54 108.87 1.48 Allowed 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.914 -1.114 . . . . 0.0 108.585 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -97.03 122.63 40.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.429 -0.795 . . . . 0.0 109.323 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -63.89 98.86 0.22 Allowed 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.475 0.655 . . . . 0.0 109.433 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -61.11 -42.02 97.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.355 -0.84 . . . . 0.0 108.968 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.019 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -78.75 140.84 38.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.368 -0.833 . . . . 0.0 109.672 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 70.5 p -147.99 159.82 43.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.981 -1.074 . . . . 0.0 109.733 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -79.17 169.96 17.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.193 -0.942 . . . . 0.0 109.703 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' X' ' 6' ' ' ASP . 2.6 pp -59.38 -46.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.207 -0.933 . . . . 0.0 110.027 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.542 ' N ' ' CD1' ' X' ' 5' ' ' ILE . 1.4 m-20 165.95 38.07 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -24.47 65.52 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.65 -0.656 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.38 -40.47 86.64 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.245 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.32 -37.34 83.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.469 -0.769 . . . . 0.0 109.104 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -45.99 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.955 . . . . 0.0 110.103 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -40.07 88.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.772 -1.205 . . . . 0.0 108.669 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.944 -1.026 . . . . 0.0 109.344 179.43 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -77.63 141.79 39.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 73.8 p -148.77 159.94 43.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.078 -1.014 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' B' ' 44' ' ' LEU . 62.0 mttm -79.97 169.46 17.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.067 -1.021 . . . . 0.0 109.351 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' Y' ' 6' ' ' ASP . 2.5 pp -58.6 -46.95 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 110.031 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' Y' ' 5' ' ' ILE . 1.4 m-20 166.65 38.46 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -60.56 -24.34 65.34 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.675 -0.641 . . . . 0.0 109.5 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.25 -40.94 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.981 -1.074 . . . . 0.0 108.254 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.8 -37.67 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.55 -46.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -39.7 87.43 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.839 -1.163 . . . . 0.0 108.665 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.338 179.628 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.16 -39.92 86.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.6 -25.02 1.53 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.891 -1.13 . . . . 0.0 108.658 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.28 -49.72 76.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 109.638 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 19.4 pttt -69.98 -29.99 67.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 109.591 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -77.87 -39.97 41.6 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.445 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtp -60.0 -43.08 95.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.601 -1.312 . . . . 0.0 110.073 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 m -60.76 -39.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.945 -1.097 . . . . 0.0 108.447 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.34 93.4 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.588 -0.695 . . . . 0.0 109.795 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.94 -45.21 93.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.66 -40.0 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.269 -0.894 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.88 -40.01 72.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.02 -1.05 . . . . 0.0 110.16 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.04 -35.16 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.65 -50.03 74.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.182 -0.949 . . . . 0.0 110.297 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.11 -23.15 48.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.131 -0.981 . . . . 0.0 110.836 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.173 -0.955 . . . . 0.0 111.714 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -108.12 -31.4 7.94 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.839 -1.163 . . . . 0.0 110.964 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -61.82 -40.01 93.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.107 -0.995 . . . . 0.0 111.572 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.84 6.45 62.14 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.957 -1.089 . . . . 0.0 111.697 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -69.92 -40.09 75.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.391 -1.652 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 15.2 pt-20 -156.44 160.0 39.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.925 -1.109 . . . . 0.0 109.789 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.12 -167.48 39.28 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.46 136.43 34.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -1.17 . . . . 0.0 109.346 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -74.32 -10.75 59.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.278 -0.889 . . . . 0.0 109.449 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.99 -30.31 62.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.326 -0.859 . . . . 0.0 109.208 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -129.5 158.94 37.83 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.594 -0.691 . . . . 0.0 109.794 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.2 mt -120.41 127.92 52.72 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.783 -0.573 . . . . 0.0 109.841 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 29' ' ' LYS . 57.7 tttp -99.32 160.1 14.52 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' LYS . 81.5 mttt -39.96 -44.43 1.7 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.675 -0.64 . . . . 0.0 110.573 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -60.09 -42.46 94.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.029 . . . . 0.0 110.811 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 80.5 mt-10 -69.98 -39.99 75.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.703 -1.248 . . . . 0.0 109.271 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.32 -38.84 91.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.024 -1.048 . . . . 0.0 108.562 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -57.3 -39.98 76.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 51.6 tp10 -68.61 -40.06 80.58 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.99 -50.49 73.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 109.993 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.527 -0.733 . . . . 0.0 109.893 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.94 -24.27 44.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.918 -1.114 . . . . 0.0 110.72 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -86.51 -45.94 10.63 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.99 -42.76 18.92 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.894 -1.128 . . . . 0.0 108.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -108.92 67.26 0.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -74.25 -68.13 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.046 . . . . 0.0 109.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.77 -19.52 6.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.585 -0.697 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.07 -40.02 88.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 108.707 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.02 -153.66 0.58 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -49.19 133.31 19.2 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.17 -0.956 . . . . 0.0 109.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -102.54 141.44 35.35 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 47' ' ' ILE . 42.4 mm -114.12 114.62 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.527 0.68 . . . . 0.0 110.246 -177.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.61 -11.59 8.23 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -122.91 152.03 41.2 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.0 pt20 -74.38 -21.48 59.64 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -43.81 94.93 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.8 t -60.41 -49.5 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 t -60.95 -41.49 89.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.502 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.2 t0 -68.8 -42.25 77.56 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.204 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.62 -39.19 77.33 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.03 -35.89 66.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 42.3 mmm -70.99 -39.98 72.13 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.25 -30.5 69.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 50.6 m -67.19 -39.95 86.45 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.974 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -105.87 -53.38 2.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.226 -0.921 . . . . 0.0 108.902 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -81.18 56.45 2.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.79 2.09 2.82 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.6 m-20 -74.61 -35.69 62.96 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 11.28 84.48 Favored Glycine 0 N--CA 1.482 1.744 0 N-CA-C 106.587 -2.605 . . . . 0.0 106.587 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -75.56 0.95 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.17 30.89 77.7 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 107.902 -2.079 . . . . 0.0 107.902 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.74 149.64 35.91 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.477 -1.013 . . . . 0.0 111.462 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.78 119.04 21.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 36.8 t0 -80.46 170.0 16.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.481 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 19.2 p90 -57.93 -39.39 77.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.134 -0.978 . . . . 0.0 108.413 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.1 tp-100 -60.04 -40.01 87.88 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.123 -0.985 . . . . 0.0 108.441 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.25 -39.39 92.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.005 -1.059 . . . . 0.0 108.99 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 109.078 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.0 mmt -59.66 -38.81 82.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.28 -0.888 . . . . 0.0 109.446 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.1 68.44 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.933 -1.104 . . . . 0.0 110.435 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -59.94 -43.46 94.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.787 -1.196 . . . . 0.0 108.727 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.02 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.39 -40.12 89.74 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.304 0.574 . . . . 0.0 109.553 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 30.4 mtm -64.52 -45.61 86.45 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.55 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.16 -30.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.6 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.9 m -69.7 -38.42 76.95 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.474 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -75.26 -41.33 57.61 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.925 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.1 96.95 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.077 -1.014 . . . . 0.0 109.923 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 26.7 m -67.45 -40.48 85.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.162 -0.962 . . . . 0.0 109.242 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -62.57 -40.05 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.406 -0.809 . . . . 0.0 110.658 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 88' ' ' PHE . 76.6 mm-40 -66.0 -25.6 67.15 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.382 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -47.23 -13.51 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.737 -1.227 . . . . 0.0 110.086 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 86' ' ' GLU . 52.3 t80 -101.01 129.4 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 108.881 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.14 64.39 1.86 Allowed 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.606 0.717 . . . . 0.0 109.733 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.0 -40.3 88.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.639 -0.663 . . . . 0.0 109.325 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.274 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.66 -39.64 84.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 110.605 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.88 -24.86 1.61 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 108.582 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.12 -49.99 75.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.468 -0.77 . . . . 0.0 109.674 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 19.5 pttt -69.99 -30.02 67.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -77.81 -39.97 42.0 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 110.423 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtp -59.99 -43.16 95.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.65 -1.281 . . . . 0.0 109.999 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 m -60.73 -39.99 83.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.011 -1.056 . . . . 0.0 108.458 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.26 93.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.671 -0.643 . . . . 0.0 109.883 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.07 -45.11 93.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.067 -1.021 . . . . 0.0 108.952 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -40.04 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.391 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.96 -39.99 72.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.033 -1.042 . . . . 0.0 110.106 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -59.99 -35.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.59 -49.95 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.198 -0.938 . . . . 0.0 110.382 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.17 -23.16 47.77 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.158 -0.964 . . . . 0.0 110.805 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 111.754 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -108.17 -31.45 7.9 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 120.884 -1.135 . . . . 0.0 110.911 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.9 t -61.81 -39.98 93.68 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.112 -0.993 . . . . 0.0 111.637 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 6.58 61.9 Favored Glycine 0 N--CA 1.495 2.621 0 C-N-CA 120.059 -1.067 . . . . 0.0 111.686 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -70.02 -40.03 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.535 -1.568 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 15.3 pt-20 -156.53 160.02 39.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.777 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.02 -167.49 38.89 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.4 136.4 34.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -1.164 . . . . 0.0 109.323 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -74.33 -10.8 59.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.43 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.8 -30.41 62.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.343 -0.848 . . . . 0.0 109.215 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -129.57 158.83 38.19 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.591 -0.693 . . . . 0.0 109.825 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.35 127.96 52.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.815 -0.553 . . . . 0.0 109.832 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 29' ' ' LYS . 57.2 tttp -99.3 159.98 14.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 82.2 mttt -39.79 -44.51 1.61 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.644 -0.66 . . . . 0.0 110.554 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 66.4 m -60.04 -42.58 94.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.815 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 80.4 mt-10 -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.742 -1.224 . . . . 0.0 109.24 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.28 -38.87 91.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.014 -1.054 . . . . 0.0 108.6 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -57.19 -39.91 76.33 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 38' ' ' ASN . 51.6 tp10 -68.79 -40.05 79.85 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.685 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.267 -0.895 . . . . 0.0 110.047 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.95 -40.04 78.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.501 -0.749 . . . . 0.0 109.838 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.97 -24.3 43.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.993 -1.067 . . . . 0.0 110.695 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -86.44 -45.91 10.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.906 -1.121 . . . . 0.0 110.236 -178.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -82.07 -42.42 19.23 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.848 -1.158 . . . . 0.0 108.985 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.3 67.39 0.65 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -74.25 -68.33 0.54 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.054 -1.029 . . . . 0.0 109.676 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.7 -19.55 6.78 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 109.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 108.715 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.97 -153.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -49.22 133.51 19.11 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.152 -0.968 . . . . 0.0 109.975 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.68 141.47 35.44 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.429 HG21 HD12 ' B' ' 47' ' ' ILE . 42.6 mm -114.19 114.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 CA-C-O 121.59 0.71 . . . . 0.0 110.264 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.59 -11.68 8.23 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -122.78 152.16 40.92 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.514 0.673 . . . . 0.0 110.839 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' B' ' 54' ' ' ASP . 13.9 pt20 -74.68 -21.45 59.39 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.7 pt-20 -60.05 -43.76 95.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.635 -0.665 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 26.1 t -60.36 -49.5 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.2 t0 -68.75 -42.17 77.9 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.229 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -69.71 -39.15 77.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.04 -35.86 65.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 42.3 mmm -70.95 -40.02 72.24 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.31 -30.49 69.53 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.1 m -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.96 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.9 -53.35 2.66 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.264 -0.897 . . . . 0.0 108.93 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -81.25 56.41 2.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -68.82 2.12 2.82 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.6 m-20 -74.55 -35.87 63.11 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.3 11.34 84.38 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 106.599 -2.601 . . . . 0.0 106.599 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -75.68 1.06 15.57 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.01 31.04 78.25 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -144.78 149.79 36.09 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.488 -1.007 . . . . 0.0 111.378 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 118.9 21.47 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.512 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 36.7 t0 -80.27 169.96 17.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.032 -1.043 . . . . 0.0 109.514 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 19.2 p90 -58.0 -39.25 77.78 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 6.1 tp-100 -60.0 -40.01 87.77 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.151 -0.968 . . . . 0.0 108.504 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.32 -39.31 92.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.06 -1.025 . . . . 0.0 108.939 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.07 -36.89 78.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.449 -0.782 . . . . 0.0 109.08 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 mmt -59.62 -38.68 81.99 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.468 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.81 -28.85 67.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.913 -1.117 . . . . 0.0 110.466 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -60.01 -43.49 95.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.735 -1.228 . . . . 0.0 108.609 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -42.0 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.449 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.3 m -60.16 -39.99 88.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.296 0.569 . . . . 0.0 109.635 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -64.83 -45.56 85.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.461 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.23 -29.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 C-N-CA 118.859 -1.137 . . . . 0.0 109.587 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 98.1 m -69.7 -38.44 76.95 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.385 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 78' ' ' SER . 19.9 p -75.21 -41.35 57.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.016 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.88 96.81 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.0 -1.062 . . . . 0.0 109.882 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 22.8 m -67.53 -40.43 85.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.265 -0.897 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.67 -39.99 95.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.453 -0.779 . . . . 0.0 110.664 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 88' ' ' PHE . 76.5 mm-40 -66.07 -25.59 67.1 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.226 -0.921 . . . . 0.0 111.381 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -47.12 -13.6 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.799 -1.188 . . . . 0.0 110.038 -179.216 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 86' ' ' GLU . 52.2 t80 -101.15 129.27 47.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 108.907 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 51.47 64.21 1.93 Allowed 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.688 0.756 . . . . 0.0 109.806 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.95 -40.61 89.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.585 -0.697 . . . . 0.0 109.319 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.277 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -39.98 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.127 -0.983 . . . . 0.0 108.85 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 49.6 p -68.89 -38.22 79.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.261 -0.899 . . . . 0.0 108.862 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -72.2 154.0 41.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.455 -0.778 . . . . 0.0 109.092 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.518 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.7 pp -80.68 -165.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.249 -0.907 . . . . 0.0 109.202 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.97 43.54 0.07 Allowed 'General case' 0 C--N 1.284 -2.27 0 CA-C-O 122.002 0.906 . . . . 0.0 109.468 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.518 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -60.0 -24.63 64.62 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.57 -38.15 80.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.602 -1.312 . . . . 0.0 107.948 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.02 -36.23 76.79 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.98 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.852 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' A' ' 59' ' ' THR . 10.0 mp -59.43 -39.71 84.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.845 -1.16 . . . . 0.0 108.6 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.431 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.955 . . . . 0.0 108.884 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 47.5 p -68.84 -38.35 79.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 108.838 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.95 153.64 41.69 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.038 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.7 pp -80.59 -166.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.276 -0.89 . . . . 0.0 109.147 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.69 43.71 0.07 Allowed 'General case' 0 C--N 1.283 -2.293 0 CA-C-O 122.051 0.929 . . . . 0.0 109.542 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.504 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.06 -24.61 64.71 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -59.59 -38.23 80.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.565 -1.335 . . . . 0.0 107.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.01 -36.13 76.54 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.07 -39.91 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.023 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.77 -38.99 83.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.845 -1.159 . . . . 0.0 108.761 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.562 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 1' ' ' SER . 25.5 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.221 0.534 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.26 -40.02 78.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.121 -0.987 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.98 -21.9 61.83 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.014 -1.054 . . . . 0.0 110.333 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -59.92 -45.9 91.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.862 -1.149 . . . . 0.0 109.792 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -70.09 -31.64 69.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.855 -1.153 . . . . 0.0 109.544 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.86 -39.05 64.24 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.216 -0.927 . . . . 0.0 110.442 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.4 tpp -59.98 -46.25 90.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 110.131 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.96 -40.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.592 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.32 95.3 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.733 -0.604 . . . . 0.0 109.811 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.54 -40.71 93.21 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 109.067 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.35 -43.09 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.185 -0.947 . . . . 0.0 109.023 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -71.02 -40.02 72.0 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 109.586 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.98 -32.66 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.06 -46.3 89.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -71.73 -31.59 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 111.809 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.99 -42.71 94.82 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.761 -1.212 . . . . 0.0 111.688 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.531 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 78.4 m-85 -97.48 -30.9 12.63 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.785 -1.197 . . . . 0.0 110.331 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.5 t -60.57 -40.0 90.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.84 14.81 57.68 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -60.06 -40.16 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.236 . . . . 0.0 109.308 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -167.63 97.28 0.47 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.4 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.38 -160.55 0.59 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.0 m-20 50.1 40.57 21.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.168 -1.196 . . . . 0.0 109.417 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -38.1 89.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.868 . . . . 0.0 109.821 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.71 -39.79 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.577 -0.702 . . . . 0.0 111.125 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 57.7 mttm -128.99 162.25 28.03 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.101 -0.999 . . . . 0.0 110.568 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.7 mt -104.98 124.07 48.87 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.442 -0.786 . . . . 0.0 110.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -84.92 157.31 20.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -50.82 -39.94 54.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.004 -1.06 . . . . 0.0 109.552 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -42.43 94.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.21 -40.0 82.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.408 -0.808 . . . . 0.0 109.111 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.97 -39.12 88.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 108.882 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.14 -39.94 82.57 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.821 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.02 -50.24 74.51 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.557 -0.715 . . . . 0.0 110.483 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.51 -39.99 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.027 -1.045 . . . . 0.0 110.322 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -80.5 -24.0 39.73 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.864 -1.147 . . . . 0.0 111.553 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -89.52 -26.16 21.02 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.827 -1.171 . . . . 0.0 111.242 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -97.21 -27.82 14.36 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.796 -1.19 . . . . 0.0 108.51 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' GLU . 33.3 mt -117.53 71.41 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -52.74 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.93 -1.106 . . . . 0.0 109.706 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.87 11.59 6.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.476 -0.765 . . . . 0.0 109.428 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.66 -8.09 53.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.274 -0.891 . . . . 0.0 109.983 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.28 -67.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 109.373 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 40' ' ' LEU . 92.0 mt-10 -120.72 138.54 53.92 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.638 -0.664 . . . . 0.0 110.911 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -118.98 122.63 42.65 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.76 120.2 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 122.211 1.005 . . . . 0.0 109.917 -178.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -135.71 -9.99 2.11 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.29 147.05 48.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.62 -0.675 . . . . 0.0 110.427 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.5 pt20 -73.75 -18.82 60.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.694 -0.629 . . . . 0.0 110.342 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.57 -49.85 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -60.27 -40.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.417 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 56.6 t0 -68.18 -43.51 77.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.439 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.94 -36.72 75.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.907 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.68 -34.98 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.4 mmt -60.96 -40.0 91.68 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.52 -29.88 69.39 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.5 m -71.74 -40.02 69.67 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 6.7 mp -101.38 -56.71 2.24 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.299 -0.876 . . . . 0.0 108.688 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.7 t0 -78.71 55.26 1.65 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.43 2.67 2.18 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 61' ' ' ASP . 75.6 m-20 -84.21 -31.66 24.94 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 10.06 78.71 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 51.1 p30 -84.47 2.0 42.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.22 33.2 84.45 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -141.82 152.74 43.96 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.391 -1.064 . . . . 0.0 111.12 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 119.56 24.74 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' A' ' 26' ' ' LYS . 75.3 m-20 -79.01 169.82 17.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.396 -0.815 . . . . 0.0 109.379 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -58.15 -40.0 80.24 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 7.2 tt0 -60.81 -40.11 91.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 44.0 mt-10 -64.69 -39.97 94.59 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.456 -0.778 . . . . 0.0 109.369 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.94 -39.94 87.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.4 -0.813 . . . . 0.0 109.614 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.9 mmm -60.02 -37.02 78.52 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.66 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.71 76.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.026 -1.047 . . . . 0.0 110.674 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.96 -40.03 87.64 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 109.313 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.9 OUTLIER -60.89 -44.27 97.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 108.873 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -60.07 -40.62 90.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.496 -0.752 . . . . 0.0 109.679 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.3 ttp -65.36 -43.56 90.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.35 -0.844 . . . . 0.0 110.195 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.1 t -80.39 -29.61 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.041 -1.037 . . . . 0.0 109.126 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.3 m -64.99 -40.05 94.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.197 -0.94 . . . . 0.0 108.857 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 p -71.52 -42.66 67.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.644 -0.66 . . . . 0.0 110.859 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.08 67.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.822 -1.173 . . . . 0.0 109.838 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 -49.64 76.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.34 -45.79 92.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.17 -40.2 89.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.0 108.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -41.3 94.95 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.637 -0.664 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -42.33 94.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.194 -0.941 . . . . 0.0 109.943 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -97.93 73.17 2.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -64.48 -44.46 90.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.117 -0.99 . . . . 0.0 110.14 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.203 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 1' ' ' SER . 23.7 p . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.75 -39.95 76.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.201 -0.937 . . . . 0.0 109.582 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.16 -21.83 62.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 0.0 110.31 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.9 -46.07 90.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.923 -1.11 . . . . 0.0 109.741 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -70.0 -31.63 69.41 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.969 -1.082 . . . . 0.0 109.537 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.32 64.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 110.403 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.1 tpp -60.03 -46.02 90.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.068 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -60.01 -39.94 81.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 108.604 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.33 95.14 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.689 -0.632 . . . . 0.0 109.8 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.58 -40.56 92.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.085 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.415 HG21 HD13 ' B' ' 11' ' ' ILE . 94.5 mt -65.68 -42.65 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 109.031 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -71.25 -40.02 71.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.531 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.0 -32.77 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.583 -0.698 . . . . 0.0 109.391 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -71.47 -31.82 67.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 111.846 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.96 -42.55 94.35 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.765 -1.209 . . . . 0.0 111.732 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.521 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 78.5 m-85 -97.62 -30.72 12.68 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.791 -1.193 . . . . 0.0 110.286 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -60.75 -39.97 90.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.87 14.72 57.94 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -59.95 -40.14 87.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.058 -1.26 . . . . 0.0 109.263 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.61 97.5 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.448 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 -160.95 0.48 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 50.54 40.49 23.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -1.169 . . . . 0.0 109.351 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.85 -37.96 89.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.77 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.79 -39.82 72.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.633 -0.667 . . . . 0.0 111.239 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 69' ' ' ASP . 58.1 mttm -128.89 162.03 28.47 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.111 -0.993 . . . . 0.0 110.473 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.87 124.21 49.07 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.45 -0.781 . . . . 0.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -85.02 156.9 20.91 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.115 -0.991 . . . . 0.0 108.44 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.61 -40.01 51.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.937 -1.102 . . . . 0.0 109.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 43.7 t -60.05 -41.85 93.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.84 -1.163 . . . . 0.0 109.135 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.58 -39.98 80.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.374 -0.829 . . . . 0.0 109.047 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.2 -38.97 88.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.177 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -56.12 -39.92 72.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 108.98 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.05 -40.03 82.91 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.321 -0.952 . . . . 0.0 108.832 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.0 -49.91 75.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.537 -0.727 . . . . 0.0 110.565 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 36' ' ' ILE . 61.0 mt -70.85 -40.0 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.057 -1.027 . . . . 0.0 110.339 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -80.38 -23.99 40.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.81 -1.181 . . . . 0.0 111.428 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -89.63 -25.95 21.01 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.813 -1.179 . . . . 0.0 111.304 -178.241 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -97.4 -27.99 14.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.774 -1.204 . . . . 0.0 108.446 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 45' ' ' GLU . 33.3 mt -117.21 71.37 0.8 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -52.84 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.142 . . . . 0.0 109.763 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -128.69 11.05 6.15 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.507 -0.745 . . . . 0.0 109.461 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.02 -8.28 54.35 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.902 . . . . 0.0 110.062 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.13 -67.88 0.2 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.046 -1.034 . . . . 0.0 109.298 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 90.2 mt-10 -120.66 138.77 53.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.657 -0.652 . . . . 0.0 110.95 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -119.29 122.73 42.56 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.95 120.07 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 122.25 1.024 . . . . 0.0 109.762 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -135.5 -10.23 2.16 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.21 147.31 48.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.618 -0.676 . . . . 0.0 110.417 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -74.02 -18.79 60.8 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.708 -0.62 . . . . 0.0 110.213 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.52 -49.98 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.28 -40.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.374 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -68.04 -43.4 78.82 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.03 -36.91 75.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.327 -0.858 . . . . 0.0 108.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.45 -34.97 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.5 mmt -61.0 -39.96 91.7 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -60.69 -29.48 69.35 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.1 m -72.02 -40.0 68.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 6.7 mp -101.32 -56.82 2.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.281 -0.887 . . . . 0.0 108.64 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 25.5 t0 -78.42 55.2 1.55 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.42 2.51 2.29 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' B' ' 61' ' ' ASP . 75.4 m-20 -83.84 -31.75 25.63 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.27 78.09 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.744 -2.142 . . . . 0.0 107.744 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.5 p30 -84.8 2.09 43.83 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.04 33.24 84.89 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -141.56 153.01 44.57 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.399 -1.059 . . . . 0.0 111.01 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.07 119.26 23.89 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 75.9 m-20 -78.84 169.92 17.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.438 -0.789 . . . . 0.0 109.383 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 25.4 p90 -58.57 -39.97 81.77 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 7.1 tt0 -60.72 -40.01 90.75 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 43.3 mt-10 -64.64 -39.99 94.67 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 109.492 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -59.95 -39.87 87.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.384 -0.822 . . . . 0.0 109.6 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.5 mmm -60.04 -37.49 79.97 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.18 -33.87 77.03 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.996 -1.065 . . . . 0.0 110.756 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.897 -1.127 . . . . 0.0 109.246 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.9 OUTLIER -60.86 -44.32 97.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.362 -0.836 . . . . 0.0 108.848 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 81.9 p -60.02 -41.2 91.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.502 -0.749 . . . . 0.0 109.756 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.2 ttp -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.296 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.8 t -80.66 -29.27 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.032 -1.043 . . . . 0.0 109.265 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.6 m -65.05 -39.97 94.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.222 -0.924 . . . . 0.0 108.822 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.9 p -71.59 -42.88 67.2 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.887 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.1 67.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.841 -1.162 . . . . 0.0 109.857 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.71 -49.46 76.36 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.215 -0.928 . . . . 0.0 109.146 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.26 -45.88 91.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 0.0 109.627 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.14 -40.15 88.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 108.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.66 -41.37 94.86 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.691 -0.631 . . . . 0.0 109.814 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.18 -0.95 . . . . 0.0 110.037 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -98.13 73.28 2.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.258 -0.901 . . . . 0.0 109.254 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -64.53 -44.25 91.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.494 ' OE2' ' N ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.141 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.289 0.566 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -60.07 -39.97 87.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 109.694 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.453 ' O ' ' O ' ' X' ' 4' ' ' LYS . 67.5 p 44.35 -161.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.362 -0.836 . . . . 0.0 110.275 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' X' ' 3' ' ' THR . 67.9 mttm 50.56 176.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.528 -0.733 . . . . 0.0 109.756 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.533 ' CD1' ' N ' ' X' ' 6' ' ' ASP . 2.8 pp -60.8 -50.0 82.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.181 -0.949 . . . . 0.0 108.78 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.533 ' N ' ' CD1' ' X' ' 5' ' ' ILE . 1.2 m-20 162.07 79.62 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.657 -0.652 . . . . 0.0 109.745 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -60.21 -40.41 90.03 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -59.99 -41.08 91.26 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.603 -0.686 . . . . 0.0 112.164 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.98 -49.62 76.95 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.706 -1.247 . . . . 0.0 110.158 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.92 -40.18 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.907 -1.121 . . . . 0.0 109.964 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -60.82 -40.08 91.4 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.221 -0.924 . . . . 0.0 109.356 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.562 -179.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.269 0.557 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.1 -39.97 88.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.268 -0.895 . . . . 0.0 109.75 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.446 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 67.5 p 44.54 -161.74 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.289 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' Y' ' 3' ' ' THR . 66.6 mttm 50.81 176.73 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' Y' ' 6' ' ' ASP . 2.8 pp -60.83 -49.94 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.146 -0.971 . . . . 0.0 108.79 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.549 ' N ' ' CD1' ' Y' ' 5' ' ' ILE . 1.2 m-20 162.08 79.81 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.617 -0.677 . . . . 0.0 109.799 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.487 ' CZ2' ' CD ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -60.5 -40.26 90.73 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.419 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -59.95 -41.12 91.18 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.495 -0.753 . . . . 0.0 112.208 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -59.99 -49.49 77.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 110.195 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.73 -40.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.956 -1.09 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.96 -40.02 87.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.728 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.551 -179.692 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.05 -39.95 75.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.159 -0.963 . . . . 0.0 110.495 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.0 -23.66 66.61 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.808 -1.182 . . . . 0.0 110.357 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.5 tt0 -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.926 -1.109 . . . . 0.0 110.146 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -36.12 63.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.888 -1.133 . . . . 0.0 109.319 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.33 93.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.3 ttm -60.03 -40.23 88.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.239 -0.913 . . . . 0.0 109.825 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.98 -40.21 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.52 85.46 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.528 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.21 -42.15 94.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.972 -1.08 . . . . 0.0 109.424 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 11' ' ' ILE . 96.8 mt -62.48 -44.0 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.95 -1.094 . . . . 0.0 109.49 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -70.02 -40.03 75.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.792 -1.192 . . . . 0.0 109.747 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.98 -32.79 48.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 89.5 t80 -60.02 -49.74 76.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.013 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.16 -35.23 73.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.768 -0.582 . . . . 0.0 112.371 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -59.96 -47.94 83.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.669 -1.27 . . . . 0.0 111.946 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -92.22 -35.97 13.52 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.683 -1.261 . . . . 0.0 110.711 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 76.0 p -63.58 -40.06 96.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.847 -1.158 . . . . 0.0 110.12 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.44 -2.6 82.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.38 -40.07 89.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.952 -1.322 . . . . 0.0 109.559 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.6 tt0 -152.23 149.3 28.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.203 -0.936 . . . . 0.0 109.194 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.0 -159.48 53.37 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.56 141.6 34.93 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.4 -1.059 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -79.99 -10.74 59.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.366 -0.833 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -73.51 -36.78 65.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.079 -1.013 . . . . 0.0 110.558 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.64 157.91 40.79 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.198 -0.939 . . . . 0.0 109.824 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.18 138.06 37.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.378 -0.826 . . . . 0.0 109.327 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 34.9 ttpt -107.55 151.44 25.59 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 13.4 ptpt -39.85 -44.45 1.63 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.46 -0.775 . . . . 0.0 110.567 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -61.76 -40.37 94.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.969 -1.082 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 63.8 mt-10 -70.03 -40.01 75.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.649 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.35 -40.06 95.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 109.081 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -55.14 -39.98 70.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.059 -1.026 . . . . 0.0 108.69 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -68.18 -39.98 82.39 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.4 -0.813 . . . . 0.0 108.835 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.02 -49.97 75.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.73 -0.607 . . . . 0.0 110.206 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.83 -39.96 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.206 -0.934 . . . . 0.0 110.415 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -80.91 -25.53 37.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.943 -1.098 . . . . 0.0 111.434 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -89.47 -29.23 19.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.47 -1.394 . . . . 0.0 111.417 -178.21 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -101.23 -16.34 17.02 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.896 -1.128 . . . . 0.0 111.326 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -161.98 64.35 0.24 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.555 -1.341 . . . . 0.0 110.596 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.82 -68.94 0.62 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.03 -1.044 . . . . 0.0 109.984 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p-80 -91.32 -9.42 45.02 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.17 -0.956 . . . . 0.0 109.868 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.1 m-85 -69.22 -39.88 78.3 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.135 -0.978 . . . . 0.0 108.428 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' O ' ' NZ ' ' X' ' 4' ' ' LYS . 16.3 mt -129.04 -98.88 0.35 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -99.1 133.12 43.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.496 -0.752 . . . . 0.0 109.475 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.64 121.5 34.13 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 47' ' ' ILE . 36.7 mm -96.71 113.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 122.096 0.95 . . . . 0.0 110.007 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -130.08 -8.84 4.34 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -122.15 152.06 40.3 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.379 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -75.7 -21.07 57.91 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 9.8 pt-20 -60.08 -42.85 95.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.488 -0.757 . . . . 0.0 110.045 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 19.1 t -62.51 -49.99 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.72 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.565 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.75 -42.69 81.38 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 118.394 -1.322 . . . . 0.0 109.04 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -70.58 -40.0 73.55 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.98 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.9 -35.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 CA-C-O 121.432 0.634 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.552 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.8 tpt -72.01 -43.75 64.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.1 -31.0 69.63 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -65.01 -33.68 76.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.807 -0.558 . . . . 0.0 110.407 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.85 -36.61 7.75 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.9 t0 -81.94 54.06 2.36 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.19 -3.79 4.31 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.7 m-20 -75.59 -35.96 60.43 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.96 82.31 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -82.49 1.17 39.03 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 70.04 28.96 71.02 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.56 -1.816 . . . . 0.0 108.56 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.3 mt-10 -145.39 158.59 43.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.307 -1.113 . . . . 0.0 110.273 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 119.98 23.21 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.03 170.02 17.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -0.765 . . . . 0.0 109.983 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.6 p90 -55.88 -40.66 73.28 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 63.5 tt0 -60.02 -42.87 95.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 108.558 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 48.2 mt-10 -66.42 -40.06 89.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.449 -0.782 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 2.1 t80 -59.98 -37.29 79.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.83 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 mmt -60.01 -39.41 85.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.193 -0.942 . . . . 0.0 109.512 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.08 69.14 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.991 -1.068 . . . . 0.0 110.19 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.92 -1.113 . . . . 0.0 108.674 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -65.49 -41.12 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.444 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.8 m -59.93 -45.61 92.05 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.405 0.622 . . . . 0.0 109.658 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.3 mtp -61.15 -46.23 91.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.235 -0.916 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -81.37 -30.47 11.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.463 -0.773 . . . . 0.0 109.919 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' VAL . 86.8 m -70.06 -39.94 75.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.19 -0.944 . . . . 0.0 108.597 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.6 m -70.5 -39.99 73.82 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.974 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.03 86.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.858 -1.152 . . . . 0.0 109.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.8 t -63.29 -41.9 99.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.294 -0.879 . . . . 0.0 109.591 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.92 -44.76 94.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.283 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -40.0 96.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.99 -40.08 87.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.157 -0.964 . . . . 0.0 109.587 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.99 122.97 14.3 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.371 1.081 . . . . 0.0 108.94 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -148.06 -163.04 1.68 Allowed 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.98 -40.06 87.8 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.206 -0.933 . . . . 0.0 109.649 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.382 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 1' ' ' SER . 10.7 t . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.04 -40.02 75.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.002 . . . . 0.0 110.433 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.232 . . . . 0.0 110.339 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.462 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.02 -50.52 73.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.853 -1.154 . . . . 0.0 110.011 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -36.29 65.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.922 -1.111 . . . . 0.0 109.437 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.91 93.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.04 -1.037 . . . . 0.0 109.4 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.0 ttm -60.01 -40.31 88.79 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.14 87.09 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.604 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.99 -41.74 97.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.409 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.423 HD12 HG22 ' B' ' 11' ' ' ILE . 96.8 mt -62.59 -44.07 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 0.0 109.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.03 -39.96 75.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.775 -1.203 . . . . 0.0 109.729 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.02 -32.69 48.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.01 -49.93 75.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.373 -0.829 . . . . 0.0 108.929 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.03 -35.21 74.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.0 -47.94 83.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.0 112.017 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -92.26 -35.92 13.52 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.702 -1.249 . . . . 0.0 110.699 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 76.2 p -63.55 -40.0 95.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.924 -1.11 . . . . 0.0 110.159 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.81 -2.43 81.49 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -66.33 -39.99 89.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.965 -1.315 . . . . 0.0 109.508 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.0 tt0 -152.13 149.45 28.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.207 -0.933 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.84 -159.55 53.27 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.4 141.59 35.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -1.032 . . . . 0.0 110.221 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -80.1 -10.67 59.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.315 -0.866 . . . . 0.0 110.317 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -73.44 -37.1 65.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.084 -1.01 . . . . 0.0 110.528 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.63 157.82 41.03 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.02 138.01 37.68 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 109.374 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' B' ' 29' ' ' LYS . 35.0 ttpt -107.28 151.6 25.25 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 28' ' ' LYS . 13.4 ptpt -39.92 -44.12 1.63 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.465 -0.772 . . . . 0.0 110.512 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -62.01 -40.53 95.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.986 -1.071 . . . . 0.0 110.124 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 62.8 mt-10 -70.01 -40.03 75.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.118 -0.989 . . . . 0.0 108.686 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.31 -39.97 94.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.368 -0.832 . . . . 0.0 109.118 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -55.01 -40.03 69.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.014 -1.054 . . . . 0.0 108.622 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -68.27 -40.0 81.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.97 -49.99 75.52 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -68.69 -39.98 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.001 . . . . 0.0 110.391 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -80.88 -25.45 37.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.943 -1.098 . . . . 0.0 111.431 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -89.43 -29.68 18.86 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.436 -1.415 . . . . 0.0 111.318 -178.205 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -101.01 -15.84 17.33 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.919 -1.113 . . . . 0.0 111.345 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -162.38 64.02 0.22 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.45 -1.406 . . . . 0.0 110.711 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.65 -69.04 0.61 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.015 -1.053 . . . . 0.0 110.049 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.4 p-80 -91.0 -9.66 45.14 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.168 -0.957 . . . . 0.0 109.868 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 86.6 m-85 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 108.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.548 ' O ' ' NZ ' ' Y' ' 4' ' ' LYS . 16.8 mt -129.35 -99.15 0.34 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -98.84 133.31 43.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.401 -0.812 . . . . 0.0 109.477 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.73 121.6 34.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.446 HG22 HD13 ' B' ' 47' ' ' ILE . 36.2 mm -96.74 113.5 31.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-O 122.104 0.954 . . . . 0.0 109.955 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -130.1 -8.57 4.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -122.43 151.92 40.77 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.644 0.735 . . . . 0.0 110.321 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -75.6 -20.97 58.21 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 9.7 pt-20 -60.19 -42.92 96.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.546 -0.721 . . . . 0.0 110.121 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 19.3 t -62.47 -49.83 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.5 t -60.83 -40.58 85.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.597 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.95 -42.53 80.8 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.366 -1.334 . . . . 0.0 108.959 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.432 ' O ' ' OG1' ' B' ' 59' ' ' THR . 51.8 mtmt -70.66 -39.99 73.26 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.96 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -74.87 -35.33 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 121.46 0.647 . . . . 0.0 109.318 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.529 ' N ' ' O ' ' B' ' 53' ' ' VAL . 5.8 tpt -71.99 -43.74 64.61 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -31.09 69.6 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 26.6 m -65.01 -33.71 76.69 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.739 -0.6 . . . . 0.0 110.372 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 4.1 mm? -103.74 -36.89 7.7 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.0 t0 -81.74 53.93 2.28 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.2 -3.66 4.16 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -75.66 -35.84 60.3 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.79 82.57 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -82.56 1.27 38.84 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.87 28.98 71.24 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.4 mt-10 -145.33 158.45 43.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.303 -1.116 . . . . 0.0 110.267 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.57 120.05 23.45 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -80.01 169.98 17.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.479 -0.763 . . . . 0.0 109.979 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.5 p90 -56.09 -40.62 73.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.548 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.4 tt0 -60.02 -42.88 95.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 108.524 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 48.2 mt-10 -66.52 -39.91 88.87 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.414 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 2.1 t80 -60.03 -37.25 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.887 . . . . 0.0 109.36 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.8 mmt -59.93 -39.42 85.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.124 -0.985 . . . . 0.0 109.548 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.26 69.33 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.042 -1.036 . . . . 0.0 110.208 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -60.04 -41.37 92.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.916 -1.115 . . . . 0.0 108.73 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.2 OUTLIER -65.29 -41.13 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' B' ' 82' ' ' THR . 20.4 m -59.98 -45.54 92.38 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.388 0.613 . . . . 0.0 109.688 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 49.4 mtp -61.18 -46.46 90.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.264 -0.897 . . . . 0.0 110.285 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.06 -30.58 11.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.492 -0.755 . . . . 0.0 109.935 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.506 ' N ' ' O ' ' B' ' 77' ' ' VAL . 96.2 m -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 108.649 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 78' ' ' SER . 19.9 m -70.62 -40.01 73.41 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.074 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.99 86.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.832 -1.168 . . . . 0.0 109.511 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.15 -42.02 99.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.883 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.01 -39.97 96.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -0.764 . . . . 0.0 109.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.06 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 0.0 109.641 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.08 123.01 14.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.349 1.071 . . . . 0.0 108.91 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -148.09 -163.15 1.71 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.17 -0.956 . . . . 0.0 109.682 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.372 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.29 0.567 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.489 ' CG ' ' NH1' ' X' ' 2' ' ' ARG . 0.0 OUTLIER -60.93 -39.32 88.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.36 -0.838 . . . . 0.0 109.445 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -59.88 139.84 57.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.971 . . . . 0.0 109.951 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.492 ' NZ ' ' O ' ' A' ' 44' ' ' LEU . 21.2 mmmt -116.91 163.53 16.06 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.571 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.7 pp -59.1 -160.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 O-C-N 120.816 -1.178 . . . . 0.0 108.297 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -50.58 -6.92 0.03 OUTLIER 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.743 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.571 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.3 OUTLIER -41.9 -24.54 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.394 -0.816 . . . . 0.0 109.588 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' X' ' 6' ' ' ASP . 9.3 p-10 -59.93 -39.98 87.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.33 -39.32 92.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.94 -42.52 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.511 -0.743 . . . . 0.0 110.842 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.95 -39.99 87.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.863 -1.148 . . . . 0.0 108.501 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.388 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.348 0.594 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.491 ' CG ' HH11 ' Y' ' 2' ' ' ARG . 0.0 OUTLIER -60.73 -39.56 89.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.43 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 69.2 p -59.88 139.93 57.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.209 -0.932 . . . . 0.0 109.986 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' B' ' 44' ' ' LEU . 21.2 mmmt -116.87 163.61 15.92 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.554 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.7 pp -59.3 -160.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 120.792 -1.192 . . . . 0.0 108.214 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -50.26 -7.05 0.03 OUTLIER 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.731 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.554 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.2 OUTLIER -41.69 -24.63 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.635 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 9.4 p-10 -59.86 -40.0 87.14 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 62.7 mttp -65.29 -39.57 92.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.0 -42.35 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.443 -0.786 . . . . 0.0 110.858 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.03 -39.4 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.841 -1.162 . . . . 0.0 108.674 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.474 -179.652 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -69.68 -38.7 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 109.897 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.86 -23.6 63.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.848 -1.157 . . . . 0.0 110.489 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' B' ' 43' ' ' PHE . 86.2 tt0 -59.89 -48.79 80.26 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.74 -1.225 . . . . 0.0 110.106 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HZ2' ' HZ1' ' B' ' 5' ' ' LYS . 6.3 ptmt -69.75 -36.67 75.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.948 -1.095 . . . . 0.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.06 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.318 -0.864 . . . . 0.0 110.366 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 mmm -61.43 -40.67 95.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.897 -1.127 . . . . 0.0 109.05 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.54 -40.02 83.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.49 85.22 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.849 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.09 -44.75 94.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.981 -1.074 . . . . 0.0 109.048 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.48 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.031 -1.043 . . . . 0.0 109.335 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -64.55 -39.92 94.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.865 -1.147 . . . . 0.0 109.418 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.9 -33.83 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 83.3 t80 -59.98 -48.47 81.57 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.416 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.665 ' HD1' ' NZ ' ' A' ' 24' ' ' LYS . 84.6 t60 -67.42 -33.78 75.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.68 -0.637 . . . . 0.0 111.84 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.683 -1.261 . . . . 0.0 110.518 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.3 -34.82 9.84 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.994 -1.066 . . . . 0.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -69.05 -40.05 78.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.055 -1.028 . . . . 0.0 109.682 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.18 3.22 62.76 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 55.8 ttt180 -65.4 -39.43 92.18 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.398 -1.06 . . . . 0.0 109.184 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.73 166.94 12.57 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -59.04 -39.47 94.35 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 45.4 p-10 -67.9 70.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.311 . . . . 0.0 109.662 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.665 ' NZ ' ' HD1' ' A' ' 15' ' ' HIS . 63.8 tttp -69.33 -29.85 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.798 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -71.83 -32.41 67.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.0 110.514 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -125.05 148.86 48.3 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 109.833 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.18 120.61 42.59 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.579 -0.7 . . . . 0.0 109.596 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 30.5 ttmt -82.72 152.13 25.9 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.4 ptpp? -43.06 -37.47 1.98 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.026 -1.046 . . . . 0.0 110.169 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -61.47 -40.94 96.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.858 -1.151 . . . . 0.0 109.778 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 47.8 mt-10 -70.07 -39.97 75.31 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.054 -1.029 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.969 -1.082 . . . . 0.0 108.276 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -57.8 -40.07 79.05 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.14 -39.92 90.2 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.8 tm? -58.84 -49.47 77.62 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.09 -47.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.497 -0.752 . . . . 0.0 111.115 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -73.07 -24.77 60.72 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.397 -1.44 . . . . 0.0 111.528 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -87.18 -29.71 21.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.784 -1.198 . . . . 0.0 111.221 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -102.94 -25.01 13.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.875 -1.141 . . . . 0.0 109.848 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.34 44.29 2.27 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.76 -89.81 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.706 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -107.17 -10.24 15.91 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.339 -0.851 . . . . 0.0 110.286 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 88.3 m-85 -69.11 -32.84 72.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 108.749 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.1 -159.82 1.0 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.09 133.71 11.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.0 109.435 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -100.73 123.57 45.12 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -90.95 109.77 21.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.861 0.839 . . . . 0.0 109.683 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.25 -10.69 7.0 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.7 tp10 -124.17 135.03 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.295 0.569 . . . . 0.0 109.975 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -62.34 -23.62 66.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.325 -0.86 . . . . 0.0 109.422 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.03 -40.03 87.9 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.107 -0.995 . . . . 0.0 109.537 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' VAL . 47.8 t -62.4 -46.91 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 t -60.0 -42.0 88.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.769 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.63 -45.61 74.88 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.043 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.39 -39.98 81.52 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' VAL . 42.8 t -70.03 -36.83 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.4 mmm -71.27 -39.96 71.24 Favored 'General case' 0 C--O 1.199 -1.576 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 85.8 tt0 -58.42 -30.19 66.68 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.846 -1.159 . . . . 0.0 107.974 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 91.9 m -66.46 -40.02 89.15 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.81 -45.38 4.4 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.151 -0.968 . . . . 0.0 108.868 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.7 t0 -71.58 52.96 0.21 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 73.6 mm-40 -67.08 3.79 1.06 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.743 0.782 . . . . 0.0 108.891 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 61' ' ' ASP . 90.6 m-20 -83.35 -32.08 26.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.18 10.65 83.47 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.3 p-10 -86.13 2.05 48.24 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.48 30.25 76.19 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.0 mt-10 -142.86 152.31 42.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.497 -1.002 . . . . 0.0 110.116 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.4 t -127.45 120.16 27.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.1 t70 -82.51 170.01 15.7 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.109 -0.995 . . . . 0.0 109.732 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.1 t80 -48.59 -49.4 36.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.28 -41.32 93.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.694 -0.629 . . . . 0.0 110.875 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.92 -40.0 75.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.891 -1.13 . . . . 0.0 108.938 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 t80 -69.52 -34.14 73.83 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.506 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 0.0 OUTLIER -58.97 -34.82 72.25 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.21 -24.82 64.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.643 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 33.8 t80 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.074 . . . . 0.0 108.743 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -40.16 81.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 120.971 -1.081 . . . . 0.0 108.548 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.516 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 51.8 m -65.56 -42.13 92.19 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.538 -177.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.56 -39.89 73.69 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.439 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 t -77.44 -33.06 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.757 -1.214 . . . . 0.0 109.459 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.6 m -67.07 -39.97 86.95 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.729 -1.232 . . . . 0.0 108.311 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -69.92 -40.08 75.76 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.437 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.96 97.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.024 -1.048 . . . . 0.0 109.967 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 t -63.72 -41.72 98.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.79 -40.28 94.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -0.947 . . . . 0.0 109.168 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 86.8 tt0 -60.79 -40.67 93.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.424 -0.797 . . . . 0.0 109.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -67.39 107.13 2.31 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.363 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 86' ' ' GLU . 89.8 m-85 -90.89 -154.94 0.37 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.015 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.93 -76.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.275 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -63.18 -39.97 96.16 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.29 -0.881 . . . . 0.0 108.821 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.207 179.794 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.41 -38.62 78.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.0 109.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.84 -23.72 63.34 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.875 -1.141 . . . . 0.0 110.527 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.1 tt0 -59.92 -49.18 78.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 109.951 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.405 ' HZ1' ' HZ2' ' A' ' 5' ' ' LYS . 5.8 ptmt -69.26 -37.17 77.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 109.662 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.11 95.23 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 110.33 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.7 mmm -61.58 -40.46 94.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.796 -1.19 . . . . 0.0 109.019 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.66 -39.98 83.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.61 85.43 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.923 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.03 -44.95 94.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.007 -1.058 . . . . 0.0 109.062 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.17 -49.4 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.03 -1.044 . . . . 0.0 109.433 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.73 -39.96 94.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.393 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 t -55.84 -33.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 83.4 t80 -60.01 -48.74 80.47 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.353 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.667 ' HD1' ' NZ ' ' B' ' 24' ' ' LYS . 84.2 t60 -67.26 -33.68 75.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.64 -0.662 . . . . 0.0 111.856 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.92 -40.05 87.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.642 -1.286 . . . . 0.0 110.585 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -100.2 -34.98 9.8 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.015 -1.053 . . . . 0.0 109.998 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -68.94 -40.07 79.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.001 -1.062 . . . . 0.0 109.707 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.16 3.32 62.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 55.5 ttt180 -65.3 -39.72 92.89 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.366 -1.079 . . . . 0.0 109.1 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -119.58 167.15 12.28 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -59.1 -39.66 94.67 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' OE1' ' B' ' 31' ' ' GLU . 45.0 p-10 -67.75 70.3 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.935 -1.332 . . . . 0.0 109.684 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.667 ' NZ ' ' HD1' ' B' ' 15' ' ' HIS . 64.8 tttp -69.47 -29.81 67.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 0.0 109.758 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -71.77 -32.18 67.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.624 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -125.2 149.16 48.23 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.169 -0.957 . . . . 0.0 109.773 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 54.6 mt -107.29 120.53 42.39 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.594 -0.691 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 29' ' ' LYS . 31.1 ttmt -82.61 152.27 25.99 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -43.19 -37.39 2.08 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.958 -1.089 . . . . 0.0 110.161 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 m -61.35 -40.87 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 47.7 mt-10 -70.06 -40.23 75.2 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.983 -1.073 . . . . 0.0 110.002 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.97 -31.57 69.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.941 -1.1 . . . . 0.0 108.401 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -57.57 -40.01 78.02 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 79.2 mm-40 -66.02 -39.98 90.7 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 2.8 tm? -58.95 -49.56 77.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.0 -47.3 69.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.507 -0.746 . . . . 0.0 111.136 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -72.78 -24.92 61.0 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.499 -1.376 . . . . 0.0 111.503 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -87.12 -29.87 21.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 -177.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -102.79 -24.86 13.69 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.898 -1.126 . . . . 0.0 109.921 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -118.45 44.42 2.26 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.7 m -52.79 -89.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.616 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -107.21 -10.28 15.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.446 -0.784 . . . . 0.0 110.304 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 88.8 m-85 -69.06 -32.81 72.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 108.757 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.22 -159.94 1.01 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.83 133.7 10.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.03 -1.044 . . . . 0.0 109.472 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.86 123.81 45.6 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.97 109.79 21.48 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-O 121.954 0.883 . . . . 0.0 109.728 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.41 -10.48 6.9 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.448 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.2 tp10 -124.3 134.88 53.07 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.227 0.537 . . . . 0.0 109.976 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -62.15 -23.6 66.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.404 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 pp20? -60.04 -40.17 88.46 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.154 -0.966 . . . . 0.0 109.605 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' B' ' 56' ' ' VAL . 45.9 t -62.27 -46.93 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.01 -41.6 86.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.8 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.0 -45.57 73.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 118.779 -1.168 . . . . 0.0 109.041 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.51 -39.91 81.05 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -69.98 -36.84 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.5 mmm -71.33 -39.98 71.03 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.435 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.1 tt0 -58.59 -30.02 66.89 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 91.3 m -66.58 -39.89 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.295 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.84 -45.55 4.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.126 -0.984 . . . . 0.0 108.725 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.4 t0 -71.43 52.95 0.2 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 74.0 mm-40 -67.1 3.88 1.04 Allowed 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.551 ' H ' ' C ' ' B' ' 61' ' ' ASP . 90.6 m-20 -83.3 -32.19 26.47 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 10.58 83.38 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.2 p-10 -86.24 2.26 47.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.428 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.41 30.16 76.1 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.9 mt-10 -142.77 152.49 42.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 110.081 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 8.0 t -127.53 120.06 27.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.2 t70 -82.53 170.02 15.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.1 t80 -48.47 -49.52 35.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.14 -41.51 92.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.627 -0.671 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -69.66 -40.04 76.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.881 -1.137 . . . . 0.0 108.99 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 t80 -69.84 -33.77 72.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.516 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -58.99 -34.86 72.32 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -25.05 64.11 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.566 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 76' ' ' PHE . 33.4 t80 -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.924 -1.11 . . . . 0.0 108.879 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -40.0 80.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 O-C-N 121.009 -1.057 . . . . 0.0 108.587 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.506 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 53.6 m -65.62 -42.14 91.91 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.634 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.59 -40.0 73.5 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 118.34 -1.344 . . . . 0.0 110.442 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -77.18 -33.4 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.778 -1.201 . . . . 0.0 109.508 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -66.87 -39.84 87.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.716 -1.24 . . . . 0.0 108.364 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 84.7 m -69.82 -40.09 76.09 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.182 0.515 . . . . 0.0 110.489 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.29 98.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 110.016 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.67 -41.67 98.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.186 -0.946 . . . . 0.0 109.467 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -61.79 -40.22 94.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.18 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 86.5 tt0 -60.96 -40.73 94.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.447 -0.783 . . . . 0.0 109.843 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -67.33 107.25 2.33 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.324 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' B' ' 86' ' ' GLU . 90.3 m-85 -90.88 -154.65 0.36 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.349 -0.845 . . . . 0.0 109.038 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -87.21 -76.61 0.36 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.263 -0.898 . . . . 0.0 109.217 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.28 -39.91 95.9 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.326 -0.859 . . . . 0.0 108.902 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.225 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.494 ' H1 ' ' HG1' ' X' ' 1' ' ' THR . 5.9 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.33 -30.16 68.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 0.0 109.141 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -60.02 141.57 55.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.427 -0.795 . . . . 0.0 109.804 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.92 166.69 23.95 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.379 -0.826 . . . . 0.0 109.239 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.4 pp -67.34 -173.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-O 122.303 1.049 . . . . 0.0 109.186 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -67.38 44.16 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.924 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.502 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -60.99 -24.66 66.3 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.46 -40.06 81.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.169 -0.957 . . . . 0.0 109.487 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.42 -38.22 86.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.047 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -39.4 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 0.0 109.995 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 64.6 mt -57.56 -40.02 77.98 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.205 -0.934 . . . . 0.0 109.176 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.74 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.09 -30.29 68.56 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.194 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -60.0 141.62 55.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.773 . . . . 0.0 109.861 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -140.04 166.35 24.89 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.47 -0.769 . . . . 0.0 109.298 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.521 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.4 pp -67.22 -173.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-O 122.361 1.077 . . . . 0.0 109.2 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -67.3 44.08 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.906 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.521 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.91 -24.64 66.15 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.58 -40.02 81.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 109.435 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.28 -38.34 86.41 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 97.7 mt -60.03 -39.54 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.447 ' O ' ' OG1' ' B' ' 59' ' ' THR . 47.5 mt -57.76 -39.59 77.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.183 -0.948 . . . . 0.0 109.378 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.686 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.439 0.638 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.05 -38.28 85.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.475 -0.766 . . . . 0.0 110.044 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.84 -30.96 69.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.683 -1.261 . . . . 0.0 109.602 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.991 -1.068 . . . . 0.0 110.491 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -31.99 73.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.692 -1.255 . . . . 0.0 108.456 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.97 97.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.496 -0.752 . . . . 0.0 109.587 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.4 mtt -60.09 -40.01 88.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.02 -1.05 . . . . 0.0 108.974 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.87 -40.36 82.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -48.87 58.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.849 -0.532 . . . . 0.0 110.165 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.106 -0.996 . . . . 0.0 110.121 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.28 -40.1 87.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.037 -1.039 . . . . 0.0 108.559 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.31 -39.92 77.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.268 -0.895 . . . . 0.0 110.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.43 -34.41 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' A' ' 18' ' ' SER . 73.1 t80 -59.9 -48.46 81.59 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.469 -0.769 . . . . 0.0 109.378 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' CE1' ' HE2' ' B' ' 85' ' ' HIS . 94.0 m-70 -70.11 -27.2 64.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.582 -0.699 . . . . 0.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.23 -46.17 90.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.167 -0.958 . . . . 0.0 111.355 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -101.72 -25.35 13.88 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.843 -1.161 . . . . 0.0 110.556 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 72.6 m -60.04 -40.13 88.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.562 -1.336 . . . . 0.0 108.234 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.43 4.39 59.77 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.001 -1.293 . . . . 0.0 108.854 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -129.45 161.2 30.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.699 -0.626 . . . . 0.0 109.422 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.56 -34.86 50.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.16 77.34 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.896 -1.355 . . . . 0.0 108.998 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.07 -16.46 56.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.0 109.647 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -71.29 -39.71 71.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.463 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -129.2 155.87 44.84 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.303 -0.873 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.44 115.0 29.45 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 80.0 tttt -80.01 156.9 26.94 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 13.2 ptpt -44.14 -40.24 4.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.048 -1.033 . . . . 0.0 110.012 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.4 m -60.09 -41.55 92.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.16 -0.963 . . . . 0.0 109.615 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -69.89 -40.07 75.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.22 -39.17 92.41 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.02 -40.5 89.52 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.556 -0.715 . . . . 0.0 109.871 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 50.1 tp10 -70.29 -40.05 74.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.94 -1.1 . . . . 0.0 108.842 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.01 -50.19 74.69 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.78 -0.575 . . . . 0.0 109.85 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -70.12 -41.73 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.909 -1.119 . . . . 0.0 110.058 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -65.87 -37.19 85.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.983 -1.073 . . . . 0.0 110.561 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.67 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.2 m120 -86.22 -12.71 48.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.159 -0.963 . . . . 0.0 110.444 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -106.32 -27.71 10.83 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.4 mt -112.01 54.8 0.69 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 94.9 p -45.07 -99.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.517 -0.739 . . . . 0.0 111.039 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' N ' ' OG ' ' A' ' 41' ' ' SER . 72.7 m80 -114.34 -20.42 10.85 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 110.208 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.92 -39.08 84.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 108.744 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD22 ' HE1' ' X' ' 7' ' ' TRP . 2.1 mt -116.3 -162.57 0.85 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -60.06 135.14 57.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.921 -1.112 . . . . 0.0 110.318 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 5.0 pt-20 -99.19 116.23 30.91 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -83.35 126.88 40.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.979 0 CA-C-O 121.835 0.826 . . . . 0.0 109.01 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -138.55 -15.09 1.23 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 86.1 mt-10 -123.08 153.63 39.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.436 -0.79 . . . . 0.0 110.368 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.53 -23.72 62.68 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 pt-20 -60.67 -42.19 96.56 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.302 -0.873 . . . . 0.0 110.06 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.1 t -62.98 -47.02 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.28 -40.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.69 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.86 -40.06 79.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 118.748 -1.181 . . . . 0.0 109.47 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.93 -39.92 75.84 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.958 0.885 . . . . 0.0 108.843 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 49.6 t -69.64 -39.21 77.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-O 121.734 0.778 . . . . 0.0 109.017 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' ASP . 53.6 mtp -70.69 -39.98 73.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.49 -33.69 76.14 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 94.7 m -69.76 -40.05 76.34 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.497 0.665 . . . . 0.0 110.088 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -102.61 -58.39 1.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' MET . 94.3 m-20 -84.69 60.82 6.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.77 5.13 0.67 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' H ' ' C ' ' A' ' 61' ' ' ASP . 89.1 m-20 -71.51 -34.69 70.32 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.71 10.69 83.92 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 29.7 p-10 -78.57 -0.54 30.09 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.24 31.11 75.86 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 107.486 -2.246 . . . . 0.0 107.486 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -143.01 151.12 40.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.525 -0.985 . . . . 0.0 110.323 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 115.86 20.88 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.61 165.47 22.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.147 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 27.0 p90 -55.09 -40.02 69.96 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.202 -0.936 . . . . 0.0 108.858 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 61.8 tt0 -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.97 . . . . 0.0 108.739 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 -39.97 75.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.469 -0.769 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -59.74 -39.89 86.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.751 -1.218 . . . . 0.0 108.625 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -31.72 71.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.253 -0.904 . . . . 0.0 109.509 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.35 69.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.931 -1.106 . . . . 0.0 109.986 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.01 -41.48 92.24 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.051 -1.03 . . . . 0.0 109.519 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -44.08 96.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -63.77 -40.84 97.65 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.56 -45.01 95.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 110.469 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.6 -28.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.125 -0.985 . . . . 0.0 110.01 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 m -65.96 -40.02 90.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.067 -1.021 . . . . 0.0 109.047 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 p -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.745 -0.597 . . . . 0.0 110.554 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.87 95.58 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.043 -1.036 . . . . 0.0 109.904 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.89 -44.71 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.218 -0.926 . . . . 0.0 109.479 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.446 ' HE2' ' CE1' ' B' ' 15' ' ' HIS . 56.3 t-80 -62.35 -40.44 96.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.431 -0.793 . . . . 0.0 110.367 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.068 -1.02 . . . . 0.0 109.909 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.86 106.38 0.8 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.04 -1.037 . . . . 0.0 108.71 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -89.17 -161.92 0.81 Allowed 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -99.05 111.71 24.04 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.403 -0.81 . . . . 0.0 109.569 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.96 -46.81 88.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.752 -0.593 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.317 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.342 0.592 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.12 -38.1 85.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.539 -0.726 . . . . 0.0 110.041 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -59.95 -31.02 69.47 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.65 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.94 -50.05 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.049 -1.032 . . . . 0.0 110.451 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -32.25 73.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.494 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.68 96.33 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.482 -0.761 . . . . 0.0 109.513 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -60.14 -39.99 88.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.995 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.02 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.14 59.24 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.341 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.84 -41.03 97.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 109.935 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.9 -40.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.976 -1.077 . . . . 0.0 108.473 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.47 -39.78 77.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.4 -34.85 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' B' ' 18' ' ' SER . 75.1 t80 -60.01 -47.89 83.98 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.401 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.446 ' CE1' ' HE2' ' A' ' 85' ' ' HIS . 93.3 m-70 -70.47 -26.84 63.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.457 -0.777 . . . . 0.0 110.783 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.92 -46.88 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.11 -0.994 . . . . 0.0 111.358 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -101.57 -25.19 13.98 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.967 -1.083 . . . . 0.0 110.515 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 67.8 m -60.22 -39.84 88.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.559 -1.338 . . . . 0.0 108.083 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.79 60.38 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.29 . . . . 0.0 108.891 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -129.38 161.31 30.63 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.685 -0.634 . . . . 0.0 109.479 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.75 49.22 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.43 77.72 0.56 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.883 -1.363 . . . . 0.0 108.935 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.485 ' CB ' ' HZ2' ' B' ' 24' ' ' LYS . 9.8 mtmp? -79.33 -16.53 56.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 109.5 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -71.31 -39.63 71.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 110.416 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -129.1 155.73 44.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.306 -0.871 . . . . 0.0 110.466 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.27 114.84 29.21 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 29' ' ' LYS . 83.8 tttt -79.95 157.2 26.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.946 -1.096 . . . . 0.0 108.109 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' B' ' 57' ' ' MET . 13.2 ptpt -44.62 -40.0 5.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.002 -1.061 . . . . 0.0 110.038 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.57 -41.18 94.1 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.494 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.06 -39.02 92.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -59.88 -41.19 91.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.508 -0.745 . . . . 0.0 109.815 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 50.0 tp10 -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.003 -1.061 . . . . 0.0 108.897 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.0 -50.11 75.01 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.937 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.99 -41.88 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.841 -1.162 . . . . 0.0 110.047 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.62 -37.24 86.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.09 -1.006 . . . . 0.0 110.526 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.668 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.2 m120 -85.96 -13.16 48.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 110.575 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.98 -27.61 11.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.284 -0.885 . . . . 0.0 108.72 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.03 54.75 0.69 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.44 ' O ' ' O ' ' B' ' 40' ' ' LEU . 89.6 p -45.05 -99.14 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.513 -0.742 . . . . 0.0 111.15 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.431 ' N ' ' OG ' ' B' ' 41' ' ' SER . 72.7 m80 -114.52 -20.27 10.82 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.381 -0.825 . . . . 0.0 110.129 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.01 -39.52 86.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.004 -1.06 . . . . 0.0 108.603 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -116.03 -162.47 0.84 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER -60.28 135.64 57.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.95 -1.094 . . . . 0.0 110.415 -179.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 5.1 pt-20 -99.45 116.21 31.07 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.45 126.99 40.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 CA-C-O 121.942 0.877 . . . . 0.0 109.015 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -138.58 -15.15 1.23 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -123.33 153.96 39.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 110.33 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.58 -23.85 62.66 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -60.59 -42.13 96.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.3 -0.875 . . . . 0.0 110.175 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.9 -47.15 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.01 -41.11 85.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.831 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.92 -40.21 79.18 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.868 -1.133 . . . . 0.0 109.203 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.84 -40.0 76.1 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.012 0.911 . . . . 0.0 108.764 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.39 -39.54 78.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.625 ' O ' ' N ' ' B' ' 61' ' ' ASP . 51.1 mtp -70.54 -40.07 73.63 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.93 -34.04 76.62 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 95.0 m -69.91 -39.96 75.87 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.497 0.665 . . . . 0.0 110.094 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.05 -58.96 1.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' B' ' 57' ' ' MET . 94.6 m-20 -84.61 60.61 6.2 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.84 5.45 0.64 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.987 0.898 . . . . 0.0 108.609 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.7 m-20 -71.54 -34.93 70.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.97 10.61 83.75 Favored Glycine 0 N--CA 1.482 1.724 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.4 p-10 -78.3 -0.83 30.36 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.5 30.87 75.65 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.561 -2.215 . . . . 0.0 107.561 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -143.06 151.26 40.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.378 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.411 ' SG ' ' OD1' ' B' ' 61' ' ' ASP . 0.8 OUTLIER -125.36 116.07 21.31 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.286 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.83 165.61 22.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.122 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 27.0 p90 -55.09 -39.97 69.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.074 -1.016 . . . . 0.0 108.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.597 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.7 tt0 -62.97 -41.79 99.64 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.12 -0.988 . . . . 0.0 108.657 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.98 -39.98 75.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.554 -0.716 . . . . 0.0 110.69 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -59.89 -39.88 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.647 -1.283 . . . . 0.0 108.629 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -31.87 70.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.89 68.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.13 -42.17 94.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.381 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -43.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.6 t -63.73 -40.81 97.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.4 ttp -61.43 -45.3 94.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 110.593 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 t -82.56 -28.94 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.165 -0.959 . . . . 0.0 109.872 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 87.1 m -65.89 -39.89 91.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.108 -0.995 . . . . 0.0 109.067 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -72.65 -40.31 66.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.688 -0.632 . . . . 0.0 110.536 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.88 94.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.9 t -65.23 -44.38 88.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.087 -1.008 . . . . 0.0 109.551 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 54.6 t-80 -62.56 -40.2 96.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.333 -0.854 . . . . 0.0 110.299 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.35 -40.08 89.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.925 -1.11 . . . . 0.0 109.911 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -62.65 106.08 0.74 Allowed 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.688 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -88.83 -161.86 0.8 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -98.92 111.85 24.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.701 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -60.06 -47.02 87.6 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.775 -0.578 . . . . 0.0 109.623 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.373 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' X' ' 2' ' ' ARG . 12.3 ptt-85 -89.72 -0.11 57.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.856 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 82.5 p -70.33 157.86 36.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.082 -1.011 . . . . 0.0 110.033 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -81.68 158.08 24.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.555 -0.715 . . . . 0.0 109.801 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.668 ' CD1' ' H ' ' X' ' 6' ' ' ASP . 1.6 pp -45.85 -71.29 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.573 -0.704 . . . . 0.0 109.931 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.668 ' H ' ' CD1' ' X' ' 5' ' ' ILE . 3.1 p30 -171.51 32.67 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.412 ' HE1' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -51.1 -24.74 4.24 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.972 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.736 ' H ' HD21 ' X' ' 8' ' ' ASN . 0.0 OUTLIER -59.06 -39.9 83.5 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.444 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 56.6 tptt -60.9 -40.09 91.77 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.53 -40.04 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.559 -0.713 . . . . 0.0 111.564 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 59' ' ' THR . 6.9 mp -59.9 -39.97 87.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.397 -1.439 . . . . 0.0 108.452 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 11.5 ptt-85 -89.38 -0.48 57.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.124 -0.985 . . . . 0.0 109.894 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 82.0 p -69.97 157.77 36.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.0 110.164 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -81.69 157.59 24.55 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.49 0.662 . . . . 0.0 109.763 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.675 ' CD1' ' H ' ' Y' ' 6' ' ' ASP . 1.5 pp -45.89 -70.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.513 -0.742 . . . . 0.0 110.083 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.675 ' H ' ' CD1' ' Y' ' 5' ' ' ILE . 3.1 p30 -171.74 32.65 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -24.59 4.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.018 -179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.742 ' H ' HD21 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -59.31 -40.06 85.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 55.9 tptt -60.68 -40.03 90.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.6 -40.05 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.511 -0.743 . . . . 0.0 111.478 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.3 mp -59.85 -39.84 86.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.239 -1.538 . . . . 0.0 108.586 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.3 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.51 -38.64 81.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 0.0 109.952 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.97 -25.22 67.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.915 -1.116 . . . . 0.0 110.644 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -49.8 76.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.894 -1.129 . . . . 0.0 110.553 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -69.85 -39.96 76.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.395 -1.441 . . . . 0.0 109.054 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.59 97.07 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.377 -0.827 . . . . 0.0 109.893 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.6 ttm -60.05 -42.7 95.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.637 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.9 -40.0 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.98 99.77 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.344 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.72 -40.15 94.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.954 -1.091 . . . . 0.0 109.459 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -41.63 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.859 . . . . 0.0 110.035 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.99 -39.98 75.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.701 -1.249 . . . . 0.0 110.098 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.01 -34.36 56.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.013 -1.055 . . . . 0.0 108.483 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -58.28 -49.59 76.61 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -77.11 -27.71 54.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.333 -0.854 . . . . 0.0 112.221 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.01 -40.36 88.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.59 -1.319 . . . . 0.0 111.558 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.51 -30.95 9.7 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.875 -1.141 . . . . 0.0 110.579 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -61.91 -44.14 97.39 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.922 -1.111 . . . . 0.0 111.158 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.53 81.39 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.91 -1.138 . . . . 0.0 110.497 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -69.98 -41.62 74.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.823 -1.398 . . . . 0.0 110.726 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 53.8 tp10 -164.6 158.7 18.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.109 -0.994 . . . . 0.0 109.138 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -158.77 46.38 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.54 130.51 42.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -1.092 . . . . 0.0 109.773 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.26 -40.01 78.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.478 -0.764 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -76.98 -20.39 56.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 0.0 112.01 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.02 158.66 38.99 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.899 -1.125 . . . . 0.0 110.424 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.85 120.08 41.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.665 . . . . 0.0 109.558 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HZ2' ' CB ' ' A' ' 30' ' ' SER . 27.2 ttpp -93.3 150.39 20.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' LYS . 26.7 ttmt -36.94 -42.91 0.42 Allowed 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.217 0.532 . . . . 0.0 110.428 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.503 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 99.8 p -62.86 -42.31 99.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -0.935 . . . . 0.0 110.167 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' HG ' ' A' ' 30' ' ' SER . 34.5 mt-10 -68.7 -40.06 80.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.973 -1.08 . . . . 0.0 108.524 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.45 -40.06 93.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.568 -0.708 . . . . 0.0 109.659 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.41 -40.05 85.41 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -65.19 -41.38 94.63 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.465 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.79 -49.96 75.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.655 -0.653 . . . . 0.0 110.013 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -80.93 -33.48 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.172 -0.955 . . . . 0.0 111.982 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 10.0 p-10 -77.27 -26.03 52.0 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.569 -1.957 . . . . 0.0 111.266 -177.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 3.7 m120 -108.97 -37.23 5.89 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 121.241 -0.912 . . . . 0.0 111.52 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 40' ' ' LEU . 2.8 tm-20 -82.31 -22.15 35.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.584 -1.323 . . . . 0.0 108.688 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' SER . 2.1 mm? -117.91 74.03 0.92 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' LEU . 4.2 m -59.91 -134.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.591 -0.693 . . . . 0.0 110.162 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.497 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 30.7 p-80 -91.02 -1.46 57.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 109.581 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.97 -40.97 90.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 4.6 tp -120.37 -49.92 2.25 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.612 -0.68 . . . . 0.0 109.358 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.29 128.93 6.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.13 -0.981 . . . . 0.0 109.286 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -99.28 119.99 38.82 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -87.99 108.52 18.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-O 121.882 0.849 . . . . 0.0 109.541 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -13.75 8.6 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -123.65 148.55 46.36 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.676 0.75 . . . . 0.0 110.535 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.65 -20.43 61.26 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.21 -40.52 90.42 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.858 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.04 -50.07 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.4 t -59.98 -46.74 93.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.013 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.57 -42.62 99.66 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 120.781 -1.199 . . . . 0.0 109.402 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.08 -38.44 72.44 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -77.11 -32.45 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 121.796 0.808 . . . . 0.0 108.994 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -72.44 -40.38 67.09 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.19 -35.57 75.69 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -72.6 -24.15 61.04 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.511 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 tp -104.9 -45.85 4.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.245 -0.909 . . . . 0.0 108.925 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' MET . 22.7 t0 -75.17 53.2 0.62 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -66.56 6.45 0.46 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.771 0.796 . . . . 0.0 109.115 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.7 m-20 -91.42 -28.07 17.89 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.6 6.84 88.19 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 39.6 p-10 -91.28 4.15 53.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.617 -0.931 . . . . 0.0 109.134 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.56 28.44 72.31 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 99.5 mt-10 -145.57 159.76 42.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.462 -1.022 . . . . 0.0 110.065 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 123.23 26.16 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 48.1 p-10 -82.82 171.84 13.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.754 -1.216 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 36.0 p90 -53.21 -43.03 66.89 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.263 -0.898 . . . . 0.0 109.385 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 4.6 tp-100 -60.09 -41.51 92.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.26 -0.9 . . . . 0.0 109.275 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 31.0 mt-10 -67.13 -39.99 86.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -0.92 . . . . 0.0 110.059 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.09 -38.97 80.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 0.0 109.333 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.6 tpt -59.93 -34.79 73.7 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.798 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.08 68.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.031 -1.043 . . . . 0.0 110.22 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.39 -40.01 85.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.885 -1.134 . . . . 0.0 108.068 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -39.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -60.88 -46.61 89.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.84 -0.537 . . . . 0.0 111.491 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.422 ' O ' ' OG1' ' A' ' 82' ' ' THR . 17.4 ptt? -70.0 -39.85 75.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.692 -1.255 . . . . 0.0 110.084 -178.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.82 -34.81 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.976 -1.078 . . . . 0.0 108.474 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 67.3 m -62.8 -39.89 95.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.199 -0.938 . . . . 0.0 108.641 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 79' ' ' MET . 7.2 p -64.66 -40.01 94.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.818 . . . . 0.0 109.883 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.68 72.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.063 -1.023 . . . . 0.0 110.607 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 15.1 p -61.12 -41.0 95.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.157 -0.964 . . . . 0.0 109.95 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.542 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 54.4 t-80 -60.02 -40.73 90.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 109.701 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.65 -40.34 95.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.205 -0.934 . . . . 0.0 109.918 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 110.306 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.14 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 91' ' ' GLU . 9.5 tm-20 -65.66 98.16 0.36 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.427 -0.796 . . . . 0.0 108.993 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.91 -40.0 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.549 -0.72 . . . . 0.0 110.728 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 40.4 mp0 . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.085 -1.009 . . . . 0.0 109.793 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.25 -38.61 81.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.478 -0.764 . . . . 0.0 110.066 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.8 -25.52 67.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.914 -1.116 . . . . 0.0 110.621 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.96 -49.72 76.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.919 -1.113 . . . . 0.0 110.602 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -69.94 -39.98 75.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.441 -1.412 . . . . 0.0 109.009 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 0.0 109.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.5 ttm -60.22 -42.57 95.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 109.685 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.92 -39.94 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.04 99.38 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.498 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.57 -39.91 95.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.208 . . . . 0.0 109.215 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.439 ' CD1' ' SG ' ' A' ' 84' ' ' CYS . 97.3 mt -61.64 -41.96 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.87 . . . . 0.0 110.064 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.07 -39.94 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.694 -1.254 . . . . 0.0 109.998 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.02 -34.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.021 -1.049 . . . . 0.0 108.473 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.87 -49.14 78.89 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.478 -0.763 . . . . 0.0 109.718 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -77.49 -27.45 51.93 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 0.0 112.156 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.05 -40.51 89.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.648 -1.283 . . . . 0.0 111.537 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.33 -31.48 9.53 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 120.904 -1.123 . . . . 0.0 110.612 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.2 t -61.69 -44.06 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.143 . . . . 0.0 111.134 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.19 81.56 Favored Glycine 0 N--CA 1.494 2.544 0 C-N-CA 119.883 -1.151 . . . . 0.0 110.517 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -69.96 -41.87 73.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.77 -1.429 . . . . 0.0 110.657 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 54.0 tp10 -164.34 158.68 18.95 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.011 . . . . 0.0 109.057 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 -158.93 45.59 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.68 130.77 42.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.371 -1.076 . . . . 0.0 109.675 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.37 -40.08 77.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.458 -0.776 . . . . 0.0 109.972 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -76.88 -20.12 56.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 0.0 112.091 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -130.12 158.45 39.62 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.865 -1.147 . . . . 0.0 110.382 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.72 120.13 41.18 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.649 -0.657 . . . . 0.0 109.525 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.516 ' HZ2' ' CB ' ' B' ' 30' ' ' SER . 27.6 ttpp -93.14 150.57 20.41 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.321 -0.862 . . . . 0.0 109.205 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 28' ' ' LYS . 28.4 ttmt -37.04 -43.29 0.46 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.216 0.531 . . . . 0.0 110.363 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.516 ' CB ' ' HZ2' ' B' ' 28' ' ' LYS . 98.8 p -62.68 -42.24 99.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.12 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' B' ' 30' ' ' SER . 35.8 mt-10 -68.72 -39.97 80.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.027 -1.046 . . . . 0.0 108.537 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.72 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.65 -39.94 86.05 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.28 -41.17 94.46 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.146 -1.022 . . . . 0.0 108.427 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 tp -60.75 -50.18 74.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.661 -0.649 . . . . 0.0 109.88 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.44 -33.92 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.227 -0.92 . . . . 0.0 112.04 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.576 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 9.4 p-10 -77.01 -26.08 53.42 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.472 -2.018 . . . . 0.0 111.341 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.576 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 3.7 m120 -109.01 -37.16 5.9 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.201 -0.937 . . . . 0.0 111.582 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' CD2' ' B' ' 40' ' ' LEU . 2.7 tm-20 -82.4 -21.96 35.59 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.643 -1.286 . . . . 0.0 108.655 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' B' ' 41' ' ' SER . 2.4 mm? -117.86 73.83 0.91 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.8 m -59.75 -134.76 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.17 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.466 ' H ' ' HD1' ' B' ' 42' ' ' HIS . 32.6 p-80 -90.72 -1.51 57.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.98 -1.075 . . . . 0.0 109.633 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.04 -40.99 91.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.92 . . . . 0.0 109.629 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.505 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 4.2 tp -120.04 -50.63 2.26 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.639 -0.663 . . . . 0.0 109.346 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.38 129.31 7.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.193 -0.942 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -99.47 119.77 38.54 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.422 HG22 HD12 ' B' ' 47' ' ' ILE . 32.6 mm -88.03 108.33 18.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 121.904 0.859 . . . . 0.0 109.376 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -13.89 8.73 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -123.53 148.55 46.2 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.679 0.752 . . . . 0.0 110.594 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.33 -20.62 61.45 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.06 -40.42 89.41 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.068 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.12 -50.01 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -60.12 -46.54 94.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -62.92 -42.59 99.85 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.434 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.12 -38.32 72.31 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 109.274 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.7 t -77.08 -32.36 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.798 0.808 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.57 ' N ' ' O ' ' B' ' 53' ' ' VAL . 10.1 tpt -72.58 -40.43 66.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.43 -35.23 75.33 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.8 m -72.78 -23.94 60.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.549 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' B' ' 62' ' ' GLU . 20.0 tp -105.04 -45.81 4.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.284 -0.885 . . . . 0.0 108.822 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.572 ' C ' ' H ' ' B' ' 63' ' ' ASP . 23.0 t0 -75.08 53.21 0.6 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' B' ' 60' ' ' LEU . 26.9 tp10 -66.61 6.5 0.46 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.762 0.791 . . . . 0.0 109.087 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.572 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -91.46 -28.2 17.79 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.07 6.34 88.31 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.6 p-10 -91.14 4.24 52.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.492 -1.005 . . . . 0.0 109.165 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.523 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.46 28.47 72.4 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 99.6 mt-10 -145.51 159.93 42.37 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -1.04 . . . . 0.0 110.11 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.95 123.15 25.39 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 47.5 p-10 -82.55 171.74 13.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.855 -1.153 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 36.8 p90 -53.23 -42.89 66.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.427 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 4.7 tp-100 -60.31 -41.02 92.58 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.197 -0.939 . . . . 0.0 109.344 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 30.4 mt-10 -67.2 -39.93 86.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.121 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.58 -38.87 82.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.993 -1.067 . . . . 0.0 109.336 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.8 tpt -59.93 -34.63 73.49 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 119.194 -1.002 . . . . 0.0 108.832 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.3 69.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 110.189 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.45 -39.95 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.903 -1.123 . . . . 0.0 108.146 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -38.49 79.12 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.07 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.543 ' HG ' ' N ' ' B' ' 79' ' ' MET . 16.9 p -61.5 -46.24 90.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.79 -0.569 . . . . 0.0 111.459 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.543 ' N ' ' HG ' ' B' ' 78' ' ' SER . 16.5 ptt? -70.19 -40.01 74.86 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.497 -1.281 . . . . 0.0 110.046 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 t -72.81 -34.56 47.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.951 -1.093 . . . . 0.0 108.593 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.502 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 81.7 m -62.79 -39.86 95.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.105 -0.997 . . . . 0.0 108.578 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 79' ' ' MET . 9.7 p -64.52 -39.97 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.0 109.99 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.67 72.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 110.505 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 15.1 p -60.92 -41.12 95.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.08 -1.012 . . . . 0.0 109.839 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.552 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 54.7 t-80 -60.14 -41.04 91.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.645 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.98 -40.68 96.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.14 -39.99 88.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.0 110.152 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -59.96 -39.93 87.31 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.0 109.131 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' B' ' 91' ' ' GLU . 9.4 tm-20 -65.56 97.99 0.34 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.453 -0.78 . . . . 0.0 108.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.94 -40.05 75.72 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.535 -0.728 . . . . 0.0 110.677 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 40.1 mp0 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.752 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.062 0.458 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.214 -0.929 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 4.4 m 59.4 60.36 2.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.198 -0.939 . . . . 0.0 108.976 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -138.02 167.37 21.93 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.394 -0.816 . . . . 0.0 109.725 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' X' ' 7' ' ' TRP . 1.6 pp -118.89 156.35 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -46.57 89.71 0.0 OUTLIER 'General case' 0 C--N 1.283 -2.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.386 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.531 ' N ' ' O ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -79.88 -24.74 40.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.569 -0.707 . . . . 0.0 109.882 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.668 ' N ' HD21 ' X' ' 8' ' ' ASN . 0.0 OUTLIER -50.26 -38.56 41.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.817 -1.177 . . . . 0.0 109.109 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' X' ' 8' ' ' ASN . 13.9 mptt -67.28 -40.08 86.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 108.963 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.417 HD13 HG23 ' X' ' 10' ' ' ILE . 75.6 mt -61.7 -45.03 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.088 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.04 -40.04 88.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.487 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.866 -179.566 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.489 ' HG1' ' N ' ' Y' ' 2' ' ' ARG . 81.5 p . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.144 0.497 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.489 ' N ' ' HG1' ' Y' ' 1' ' ' THR . 60.6 mtp180 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.122 -0.986 . . . . 0.0 109.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m 59.74 60.2 2.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 108.939 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -137.71 167.43 21.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.406 -0.809 . . . . 0.0 109.748 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' Y' ' 7' ' ' TRP . 1.6 pp -118.84 156.51 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -46.8 89.76 0.0 OUTLIER 'General case' 0 C--N 1.283 -2.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.38 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -79.86 -24.65 41.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.597 -0.689 . . . . 0.0 109.722 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.664 ' N ' HD21 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -50.22 -38.18 39.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.925 -1.109 . . . . 0.0 109.078 -179.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' Y' ' 8' ' ' ASN . 13.9 mptt -67.94 -39.98 83.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.945 . . . . 0.0 108.959 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.447 HD11 HG22 ' Y' ' 10' ' ' ILE . 75.7 mt -61.51 -45.21 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.972 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.97 -39.95 87.4 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.0 109.564 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.81 -179.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.31 -40.03 89.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 108.872 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.97 -22.73 62.9 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.122 -0.986 . . . . 0.0 110.705 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.04 -51.79 68.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.816 -1.178 . . . . 0.0 110.405 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.67 -33.66 66.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.757 -1.214 . . . . 0.0 108.77 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.01 94.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.0 ttm -60.4 -40.04 89.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.294 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.01 -40.08 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.17 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.318 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.16 -40.32 95.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.038 -1.039 . . . . 0.0 109.403 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.07 -47.19 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.031 -1.043 . . . . 0.0 109.561 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.99 -40.02 75.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.822 -1.174 . . . . 0.0 109.867 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.94 -36.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.99 -48.54 81.28 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.435 -0.791 . . . . 0.0 109.551 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -70.0 -31.87 69.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.58 -0.7 . . . . 0.0 111.718 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.99 -43.94 94.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.925 -1.109 . . . . 0.0 111.155 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 97.5 m-85 -94.47 -31.04 14.13 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.816 -1.177 . . . . 0.0 110.346 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 45.5 t -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 109.285 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.51 2.86 65.43 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.235 -1.156 . . . . 0.0 108.912 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' GLY . 81.1 tt0 -144.52 168.67 19.58 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -51.0 -173.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.024 -1.231 . . . . 0.0 110.024 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 26' ' ' LYS . 74.0 m-20 56.45 52.46 9.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.318 -1.107 . . . . 0.0 108.913 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' OG ' ' A' ' 18' ' ' SER . 97.9 mttt -60.03 -32.5 70.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.445 -0.785 . . . . 0.0 110.336 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.97 -19.94 62.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 110.371 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.3 mttt -129.71 153.37 48.23 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.198 -0.939 . . . . 0.0 109.668 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.4 mt -113.41 128.75 56.56 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LYS . 38.0 ttpt -92.81 156.52 16.94 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 33.7 mtmt -42.77 -42.0 3.41 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.318 -0.864 . . . . 0.0 109.842 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -63.55 -40.03 95.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.277 -0.889 . . . . 0.0 109.726 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.76 -39.96 76.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.057 -1.027 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -70.02 -29.01 65.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.052 -1.03 . . . . 0.0 108.7 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.56 -40.04 81.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.236 -0.915 . . . . 0.0 108.611 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -57.9 -53.79 54.27 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.939 0.876 . . . . 0.0 108.949 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.97 -42.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.205 -0.935 . . . . 0.0 112.273 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' C ' HD21 ' A' ' 38' ' ' ASN . 39.4 t30 -73.6 -30.18 62.84 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.157 -1.589 . . . . 0.0 111.537 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.707 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.0 OUTLIER -90.94 -17.2 26.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.031 -1.043 . . . . 0.0 110.666 -177.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -107.6 -30.09 8.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.7 mt -113.32 32.41 5.78 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.282 -0.886 . . . . 0.0 108.727 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' LEU . 68.5 m -43.44 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.321 -0.862 . . . . 0.0 111.035 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -101.99 -16.7 16.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.202 -0.936 . . . . 0.0 110.27 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.32 -30.03 70.83 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.186 -0.947 . . . . 0.0 109.147 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -141.6 -158.82 0.9 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.359 -0.838 . . . . 0.0 108.85 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 1.1 tm-20 -49.26 138.47 12.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.027 -1.046 . . . . 0.0 109.854 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 17.5 pt-20 -103.68 128.24 51.04 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.455 HG21 HD12 ' A' ' 47' ' ' ILE . 44.4 mm -94.49 112.86 27.89 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.964 0.887 . . . . 0.0 110.035 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 -12.37 6.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.8 tp10 -124.19 140.05 53.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -66.9 -21.81 65.98 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.056 -1.027 . . . . 0.0 110.134 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.9 pt-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.329 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 56' ' ' VAL . 29.8 t -61.52 -50.01 82.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.31 -42.47 90.78 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.037 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.156 -1.018 . . . . 0.0 108.968 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -68.01 -39.47 83.19 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' VAL . 44.3 t -70.02 -36.74 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 62.2 mmm -70.54 -39.9 73.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.07 -26.93 65.05 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -71.78 -38.44 70.31 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.403 0.621 . . . . 0.0 109.469 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.55 -60.41 1.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.1 t0 -74.86 57.15 0.77 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.21 2.76 1.44 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.6 m-20 -76.7 -32.11 57.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 10.62 79.26 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 54.5 p-10 -83.75 2.84 36.01 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.57 33.84 86.34 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.7 tp10 -142.27 143.04 32.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.569 -0.959 . . . . 0.0 110.373 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 t -126.72 124.44 39.78 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 41.0 p-10 -88.49 172.82 9.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 108.851 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 29.5 p90 -58.3 -40.03 80.89 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.089 -1.007 . . . . 0.0 109.179 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 54.6 tt0 -60.04 -42.64 94.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.132 -0.98 . . . . 0.0 109.401 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 81.5 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.988 -1.07 . . . . 0.0 109.971 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.28 -39.91 88.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.266 -0.896 . . . . 0.0 109.954 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.0 mmm -60.02 -34.8 73.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 0.0 108.905 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -27.91 68.19 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.99 -41.66 92.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.998 -1.064 . . . . 0.0 108.638 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.57 -44.15 98.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 t -60.05 -47.89 83.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.489 0.662 . . . . 0.0 109.442 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.18 -45.11 95.94 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.767 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.85 -29.61 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.78 -1.2 . . . . 0.0 108.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 73.1 m -67.59 -40.0 84.81 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -67.58 -40.03 84.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.62 -0.675 . . . . 0.0 109.845 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.36 98.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.859 -1.151 . . . . 0.0 109.192 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 55.9 m -64.84 -47.13 79.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.324 -0.86 . . . . 0.0 109.041 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -60.03 -40.9 90.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.754 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.9 -39.99 91.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.11 107.03 0.8 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.912 -1.118 . . . . 0.0 108.499 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -96.84 -159.14 0.71 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.375 -0.828 . . . . 0.0 109.374 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -97.2 111.12 23.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 109.97 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -60.28 -41.05 92.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.571 -0.706 . . . . 0.0 109.928 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.558 -179.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.172 0.511 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.4 -39.96 89.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.945 . . . . 0.0 108.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.05 -22.75 63.08 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 110.691 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.9 -51.96 67.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 110.446 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.61 66.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.724 -1.235 . . . . 0.0 108.785 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.2 95.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -0.847 . . . . 0.0 109.484 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.15 -40.07 88.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.081 -1.012 . . . . 0.0 109.335 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.94 -40.33 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.58 86.42 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.95 -40.2 94.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.412 HG21 HD12 ' B' ' 11' ' ' ILE . 96.9 mt -62.21 -46.95 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.008 -1.058 . . . . 0.0 109.606 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.788 -1.195 . . . . 0.0 109.933 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.01 -36.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.98 -48.67 80.77 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.546 -0.721 . . . . 0.0 109.517 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -70.0 -31.7 69.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.633 -0.667 . . . . 0.0 111.723 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -44.19 94.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.112 . . . . 0.0 111.045 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.406 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 97.4 m-85 -94.33 -30.86 14.3 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.81 -1.181 . . . . 0.0 110.437 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 45.1 t -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.62 3.0 65.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -1.168 . . . . 0.0 108.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLY . 81.1 tt0 -144.42 168.5 19.95 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -50.75 -173.44 0.01 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.8 m-20 56.18 52.23 10.59 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -1.099 . . . . 0.0 109.045 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.414 ' O ' ' OG ' ' B' ' 18' ' ' SER . 97.8 mttt -59.98 -32.19 70.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.11 -19.92 62.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.121 -0.987 . . . . 0.0 110.328 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 23' ' ' ASP . 99.0 mttt -129.79 153.41 48.26 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.152 -0.968 . . . . 0.0 109.703 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -113.54 128.64 56.51 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' B' ' 29' ' ' LYS . 38.0 ttpt -92.61 156.52 17.05 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 33.4 mtmt -43.02 -41.73 3.56 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.303 -0.873 . . . . 0.0 109.773 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -63.64 -40.03 95.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.721 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.96 -29.06 66.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.065 -1.022 . . . . 0.0 108.714 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.63 -40.04 82.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -65.57 -39.98 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -57.81 -53.81 54.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.899 0.856 . . . . 0.0 108.956 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.04 -42.61 79.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.272 -0.892 . . . . 0.0 112.308 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.469 ' C ' HD21 ' B' ' 38' ' ' ASN . 39.1 t30 -74.06 -29.99 62.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.155 -1.591 . . . . 0.0 111.431 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.732 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.9 OUTLIER -90.94 -17.2 26.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.022 -1.049 . . . . 0.0 110.605 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -107.55 -30.12 8.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 109.399 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -113.27 32.35 5.82 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.24 -0.912 . . . . 0.0 108.779 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -43.18 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.312 -0.868 . . . . 0.0 111.092 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.21 -16.27 16.39 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.14 -0.975 . . . . 0.0 110.287 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.85 -30.07 70.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.047 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.37 -158.83 0.9 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 1.1 tm-20 -49.21 138.26 12.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.977 -1.077 . . . . 0.0 109.837 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 17.6 pt-20 -103.52 128.27 50.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.413 HG23 HD13 ' B' ' 47' ' ' ILE . 48.3 mm -94.6 112.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.212 0 CA-C-O 121.941 0.877 . . . . 0.0 110.17 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -12.11 6.79 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.5 tp10 -124.3 139.98 53.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -67.15 -21.8 65.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 110.078 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.8 pt-20 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -0.876 . . . . 0.0 109.317 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' B' ' 56' ' ' VAL . 34.2 t -61.69 -49.98 82.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.27 -42.33 90.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.043 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -68.36 -45.1 73.71 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.893 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -67.69 -39.32 84.45 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 52' ' ' VAL . 42.2 t -69.98 -37.01 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.34 -40.0 74.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.03 -26.45 64.58 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -72.18 -38.59 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.42 0.629 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.22 -60.85 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.8 t0 -74.57 57.23 0.72 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.28 2.57 1.58 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.8 m-20 -76.42 -31.99 58.24 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.43 10.57 79.6 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.631 -2.187 . . . . 0.0 107.631 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.4 p-10 -83.64 2.49 37.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.89 33.36 85.18 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.7 tp10 -141.83 143.21 33.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.626 -0.926 . . . . 0.0 110.359 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.05 124.58 39.63 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 41.2 p-10 -88.43 172.88 9.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 108.796 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.9 p90 -58.31 -40.27 81.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 109.225 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 55.2 tt0 -59.96 -42.68 94.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 109.396 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 81.2 mt-10 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.948 -1.095 . . . . 0.0 109.928 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.17 -40.02 88.47 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.98 -34.64 73.58 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.032 . . . . 0.0 109.054 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.88 67.99 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 109.648 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.98 -41.76 92.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.962 -1.086 . . . . 0.0 108.589 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -61.54 -44.1 98.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -60.09 -47.74 84.61 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.503 0.668 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.7 ttp -61.23 -45.22 95.44 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.437 -0.789 . . . . 0.0 110.741 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -79.85 -29.16 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.767 -1.208 . . . . 0.0 108.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' B' ' 77' ' ' VAL . 73.7 m -68.01 -40.04 83.07 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.0 p -67.34 -40.13 85.86 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.728 -0.607 . . . . 0.0 109.797 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.32 98.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.863 -1.148 . . . . 0.0 109.23 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 47.2 m -64.94 -46.95 79.43 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.29 -0.881 . . . . 0.0 109.02 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.804 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.79 -39.95 90.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.26 106.96 0.81 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.905 -1.122 . . . . 0.0 108.523 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -96.82 -159.32 0.73 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.303 -0.873 . . . . 0.0 109.303 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -96.87 111.05 23.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.525 -0.734 . . . . 0.0 109.969 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -60.22 -40.9 91.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.522 -0.737 . . . . 0.0 109.993 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.599 -179.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.416 0.627 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 51.96 40.1 27.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.813 . . . . 0.0 109.78 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -124.74 11.61 8.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.418 -0.801 . . . . 0.0 109.07 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -69.96 146.29 51.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -101.44 -163.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.365 -0.834 . . . . 0.0 109.664 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' X' ' 6' ' ' ASP . 8.8 p-10 -80.01 69.11 6.32 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.776 0.798 . . . . 0.0 110.872 -177.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -24.76 61.21 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.015 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -54.74 -39.97 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.722 -1.236 . . . . 0.0 108.707 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -62.89 -40.03 96.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 108.884 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.74 -40.1 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.47 -0.769 . . . . 0.0 110.944 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.98 -40.06 87.82 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.036 -1.04 . . . . 0.0 109.068 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.301 -1.506 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.582 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.313 0.577 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 52.04 40.07 27.65 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.361 -0.837 . . . . 0.0 109.747 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 2.8 t -124.62 11.41 8.53 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.454 -0.779 . . . . 0.0 109.085 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -70.0 146.25 51.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.37 -0.831 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -101.34 -162.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.386 -0.821 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' Y' ' 6' ' ' ASP . 8.8 p-10 -80.34 69.16 6.73 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.799 0.809 . . . . 0.0 110.813 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -24.79 61.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.949 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -54.71 -40.0 68.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.715 -1.24 . . . . 0.0 108.716 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -62.87 -39.99 96.13 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 108.869 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.83 -40.14 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.486 -0.759 . . . . 0.0 110.989 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.896 -1.127 . . . . 0.0 109.233 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.3 -1.563 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.544 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.208 0.528 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.2 -39.61 95.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.203 -0.936 . . . . 0.0 108.96 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.42 -27.0 68.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.957 -1.089 . . . . 0.0 110.344 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 86.4 tt0 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.997 -1.064 . . . . 0.0 110.556 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.95 -39.2 79.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.776 -1.203 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.27 97.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.206 -0.934 . . . . 0.0 109.955 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.95 -42.74 94.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.907 -1.12 . . . . 0.0 109.365 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.96 -40.02 81.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.25 94.24 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.634 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.87 -40.43 95.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.805 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.11 -45.03 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.0 109.727 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -70.02 -40.07 75.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.085 -1.01 . . . . 0.0 110.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -57.97 -34.15 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 74.8 t80 -60.01 -47.15 87.02 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.234 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.15 -37.83 75.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.565 -0.71 . . . . 0.0 112.305 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.96 -42.03 93.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.784 -1.197 . . . . 0.0 112.349 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.16 -33.78 11.92 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.661 -1.274 . . . . 0.0 110.83 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.3 p -60.57 -40.0 90.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.818 -1.176 . . . . 0.0 110.198 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 4.02 64.57 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -60.01 -47.53 85.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -1.173 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 91.6 mt-10 -150.03 165.14 33.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.083 -1.011 . . . . 0.0 110.192 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.01 -156.13 1.51 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -79.47 146.35 32.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -1.024 . . . . 0.0 109.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -79.92 -9.11 59.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.31 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.18 -25.67 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.955 -1.091 . . . . 0.0 110.99 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -131.39 153.9 49.19 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.095 -1.003 . . . . 0.0 110.07 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -115.33 126.31 54.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.522 -0.736 . . . . 0.0 109.672 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.6 tttp -96.64 152.14 18.93 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.177 -0.952 . . . . 0.0 108.86 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 10.3 ttmm -35.29 -49.86 0.52 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.915 -0.491 . . . . 0.0 110.668 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -60.76 -40.44 92.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.946 -1.097 . . . . 0.0 110.452 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.0 mt-10 -70.04 -40.0 75.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.705 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' LEU . 13.7 tp -64.85 -40.02 94.49 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.874 -1.141 . . . . 0.0 108.15 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -48.91 -40.91 31.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 0.0 108.74 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -62.27 -40.77 97.31 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.05 -47.7 84.77 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.98 -48.74 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 111.606 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 42.0 p30 -74.94 -21.29 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.249 -1.532 . . . . 0.0 111.897 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.576 ' C ' HD21 ' A' ' 38' ' ' ASN . 0.1 OUTLIER -91.06 -52.09 5.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.868 -1.145 . . . . 0.0 111.132 -178.688 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -85.49 -39.97 16.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.033 -1.042 . . . . 0.0 111.51 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 1.8 mm? -97.85 24.52 6.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.273 -0.892 . . . . 0.0 108.753 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 40' ' ' LEU . 48.9 m -41.73 -103.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.487 0.66 . . . . 0.0 111.775 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 49.9 t-80 -97.28 -8.26 30.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.952 -1.093 . . . . 0.0 110.11 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.517 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 68.1 m-85 -65.84 -38.73 89.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 110.085 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.523 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 4.7 tp -126.75 -57.17 1.36 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.388 -0.82 . . . . 0.0 110.119 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' LEU . 9.1 tm-20 -143.22 125.11 15.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.006 -1.059 . . . . 0.0 110.06 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -90.07 119.97 30.87 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 mm -88.79 120.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.415 1.102 . . . . 0.0 109.864 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -127.36 -19.17 4.31 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -121.71 146.52 46.95 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.718 . . . . 0.0 110.482 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.99 -20.03 63.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.4 pt-20 -60.02 -41.87 93.09 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.551 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 1.6 t -61.3 -50.07 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.3 t -61.11 -47.94 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.111 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.38 -44.25 95.81 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.934 -1.104 . . . . 0.0 109.571 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -70.01 -39.8 75.61 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.83 -33.74 38.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-O 121.698 0.761 . . . . 0.0 109.092 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.4 tpt -71.4 -42.88 67.78 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.44 -31.14 71.08 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.4 m -64.2 -29.06 70.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 62' ' ' GLU . 28.7 mt -106.56 -40.32 5.59 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' C ' ' H ' ' A' ' 63' ' ' ASP . 15.3 t0 -74.71 49.95 0.42 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 60' ' ' LEU . 74.8 mm-40 -67.88 8.65 0.37 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 61' ' ' ASP . 93.8 m-20 -92.29 -24.15 19.06 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.01 6.32 89.55 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 40.0 p-10 -93.78 7.56 44.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.039 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.16 37.15 91.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.11 155.6 44.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.372 -1.075 . . . . 0.0 110.04 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.9 t -131.64 118.8 20.54 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -85.76 170.85 12.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 110.201 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -47.41 -48.04 26.4 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.74 -39.99 95.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.295 -0.878 . . . . 0.0 109.853 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 47.0 mt-10 -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.995 . . . . 0.0 109.986 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 11.8 t80 -69.92 -37.37 75.91 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.02 -32.46 70.9 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.34 65.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.12 -0.988 . . . . 0.0 109.281 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.98 -40.32 88.7 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -64.14 -47.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -60.07 -48.87 79.93 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.417 0.627 . . . . 0.0 110.281 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 79' ' ' MET . 13.8 tmm? -63.34 -42.13 98.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.571 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.0 t -81.16 -29.65 11.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.989 -1.069 . . . . 0.0 109.174 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 53.9 m -65.44 -40.02 92.75 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.946 -1.096 . . . . 0.0 108.434 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 p -70.19 -39.51 75.18 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.605 -0.684 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.76 91.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.978 -1.076 . . . . 0.0 110.426 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.8 p -66.8 -44.41 81.3 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.666 -1.271 . . . . 0.0 108.564 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -61.38 -40.36 94.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 109.613 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.0 -15.74 61.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -39.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.069 . . . . 0.0 109.636 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.4 140.0 55.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 54.35 75.21 0.3 Allowed 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -59.94 -40.05 87.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.473 -0.767 . . . . 0.0 110.181 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.342 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.12 -39.94 96.15 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.199 -0.938 . . . . 0.0 109.014 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.32 -26.87 68.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 110.309 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.517 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.5 tt0 -60.03 -49.99 75.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.005 -1.059 . . . . 0.0 110.583 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -68.95 -39.41 79.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.736 -1.228 . . . . 0.0 109.594 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.52 98.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.28 -0.888 . . . . 0.0 110.029 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.5 ttm -60.01 -42.71 94.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.88 -1.137 . . . . 0.0 109.427 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -40.0 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.05 95.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.621 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.26 -40.21 95.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.945 . . . . 0.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.47 -44.85 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.194 -0.941 . . . . 0.0 109.664 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -69.98 -40.0 75.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.115 -0.991 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -57.96 -34.33 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.968 -1.083 . . . . 0.0 108.154 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 74.8 t80 -60.05 -47.07 87.38 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.168 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.16 -37.85 75.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.511 -0.743 . . . . 0.0 112.259 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.03 -41.93 93.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.73 -1.231 . . . . 0.0 112.353 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.19 -33.69 11.93 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.695 -1.253 . . . . 0.0 110.842 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -60.63 -40.01 90.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.883 -1.136 . . . . 0.0 110.124 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.34 4.06 64.78 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -60.02 -47.49 85.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.284 -1.127 . . . . 0.0 109.471 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 91.6 mt-10 -150.0 165.1 33.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.002 -1.061 . . . . 0.0 110.216 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.94 -155.98 1.52 Allowed Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.54 146.23 32.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -1.059 . . . . 0.0 109.532 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -79.97 -9.03 59.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 110.203 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.13 -25.68 60.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.95 -1.094 . . . . 0.0 111.012 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -131.41 153.88 49.24 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.053 -1.03 . . . . 0.0 110.02 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.8 mt -115.35 126.32 54.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.573 -0.704 . . . . 0.0 109.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' B' ' 29' ' ' LYS . 25.1 tttp -96.7 152.07 19.02 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.191 -0.943 . . . . 0.0 108.82 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 28' ' ' LYS . 10.7 ttmm -35.12 -49.92 0.49 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.963 -0.461 . . . . 0.0 110.72 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.68 -40.46 92.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.934 -1.103 . . . . 0.0 110.445 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 28' ' ' LYS . 97.9 mt-10 -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 109.762 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' B' ' 35' ' ' LEU . 13.1 tp -64.87 -40.01 94.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.977 -1.077 . . . . 0.0 108.189 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -48.93 -40.82 31.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.922 . . . . 0.0 108.807 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -62.26 -40.71 97.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -60.04 -47.66 84.95 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.15 -48.61 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.909 -1.12 . . . . 0.0 111.548 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 42.1 p30 -75.13 -21.27 58.96 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.286 -1.508 . . . . 0.0 111.805 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.568 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.1 OUTLIER -91.07 -52.09 5.01 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.875 -1.14 . . . . 0.0 111.006 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -85.49 -39.96 16.88 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.007 -1.058 . . . . 0.0 111.589 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.9 mm? -97.8 24.41 6.89 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.285 -0.884 . . . . 0.0 108.753 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.475 ' O ' ' O ' ' B' ' 40' ' ' LEU . 50.6 m -41.81 -103.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.423 0.63 . . . . 0.0 111.805 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' B' ' 42' ' ' HIS . 49.8 t-80 -97.14 -8.16 30.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.985 -1.072 . . . . 0.0 110.113 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 68.0 m-85 -66.06 -38.44 88.32 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.063 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.604 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 4.7 tp -127.07 -57.17 1.32 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.168 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 40' ' ' LEU . 9.0 tm-20 -142.92 125.02 15.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.961 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -90.13 120.02 30.95 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.9 mm -88.7 119.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-O 122.431 1.11 . . . . 0.0 109.966 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.587 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -127.35 -19.13 4.32 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -121.8 146.6 46.91 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.64 0.733 . . . . 0.0 110.388 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.01 -20.0 63.29 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.512 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.416 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 1.6 t -61.2 -50.11 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -61.05 -48.09 90.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.131 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.36 -44.31 95.69 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.889 -1.132 . . . . 0.0 109.557 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 59' ' ' THR . 79.3 mttt -69.99 -39.69 75.75 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.981 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.5 t -73.72 -33.98 39.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 121.608 0.718 . . . . 0.0 109.089 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.556 ' N ' ' O ' ' B' ' 53' ' ' VAL . 13.6 tpt -71.22 -42.94 68.27 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.42 -31.15 71.07 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 9.6 m -64.22 -29.01 70.14 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 34.8 mt -106.52 -40.46 5.56 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' ASP . 15.3 t0 -74.83 50.04 0.44 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 60' ' ' LEU . 74.6 mm-40 -67.95 8.76 0.36 Allowed 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.9 m-20 -92.44 -24.16 18.92 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.99 6.23 89.61 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 40.2 p-10 -93.74 7.67 43.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -1.05 . . . . 0.0 109.025 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.407 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.01 37.2 91.89 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.97 155.45 44.04 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.404 -1.056 . . . . 0.0 110.112 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.3 t -131.53 118.88 20.75 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.83 170.83 12.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.071 -1.018 . . . . 0.0 110.197 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.632 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -47.4 -48.12 26.28 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.77 -39.99 95.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.769 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.8 mt-10 -69.99 -41.59 74.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.1 -1.0 . . . . 0.0 109.956 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.593 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 12.2 t80 -69.65 -37.53 76.78 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 18.4 tpt -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.39 65.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.373 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.18 -48.06 87.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.3 p -60.03 -49.07 79.11 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.418 0.628 . . . . 0.0 110.271 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 79' ' ' MET . 13.7 tmm? -63.37 -41.95 98.83 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 110.589 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 t -81.22 -29.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.07 -1.019 . . . . 0.0 109.096 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 51.7 m -65.34 -39.94 93.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.031 -1.043 . . . . 0.0 108.499 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -70.38 -39.37 74.59 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.677 -0.639 . . . . 0.0 109.968 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.88 91.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.933 -1.104 . . . . 0.0 110.349 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 -44.65 81.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.727 -1.233 . . . . 0.0 108.57 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -61.12 -40.63 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 0.0 109.566 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.89 -15.66 61.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.95 -40.03 87.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.905 -1.122 . . . . 0.0 109.616 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -68.26 139.98 56.0 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 54.31 75.2 0.3 Allowed 'General case' 0 C--N 1.284 -2.259 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -59.95 -40.01 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 110.222 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.372 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -100.0 119.9 38.98 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.256 -0.903 . . . . 0.0 109.51 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -163.82 133.4 4.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -0.865 . . . . 0.0 109.565 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -163.02 159.96 23.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 0.0 108.853 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 pp -100.09 -161.23 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.159 -0.963 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -88.86 60.59 5.57 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.505 -0.747 . . . . 0.0 110.837 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.523 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.85 -24.92 66.2 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.677 ' ND2' ' H ' ' X' ' 8' ' ' ASN . 0.4 OUTLIER -59.21 -40.02 84.49 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.565 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.36 -40.42 97.22 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.05 -40.12 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.848 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -39.95 86.88 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.355 179.559 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -100.03 120.03 39.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.344 -0.848 . . . . 0.0 109.473 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -164.09 132.77 3.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.415 -0.803 . . . . 0.0 109.597 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -162.35 159.98 26.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.853 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 pp -100.11 -161.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 109.218 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -88.95 60.62 5.55 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.463 -0.773 . . . . 0.0 110.866 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.604 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -66.91 -24.85 66.14 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.695 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 0.4 OUTLIER -59.23 -39.97 84.39 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -63.48 -40.23 96.57 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -63.17 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.791 . . . . 0.0 109.886 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -39.35 85.63 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.28 179.505 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.369 0.604 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.35 -40.01 89.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.0 -31.78 70.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.088 -1.008 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' OE2' ' CG ' ' B' ' 43' ' ' PHE . 86.3 tt0 -60.0 -51.77 68.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.64 72.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.654 -1.278 . . . . 0.0 109.09 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.99 96.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.362 -0.836 . . . . 0.0 109.305 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.1 ttm -60.06 -38.43 82.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.491 -0.755 . . . . 0.0 109.675 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.87 -39.97 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.02 99.52 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.68 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.27 -39.98 96.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.285 -0.884 . . . . 0.0 110.004 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.45 -40.06 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.089 -1.007 . . . . 0.0 109.605 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -70.06 -39.56 75.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.981 -1.074 . . . . 0.0 109.512 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.3 -37.97 72.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -54.17 -50.03 67.94 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.028 -1.045 . . . . 0.0 109.729 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.877 ' NE2' ' HZ1' ' A' ' 24' ' ' LYS . 35.2 t-80 -79.06 -24.67 43.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.273 -0.892 . . . . 0.0 111.29 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.99 -44.53 94.44 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.045 -1.035 . . . . 0.0 111.62 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' OH ' ' CG ' ' A' ' 73' ' ' PHE . 31.8 p90 -105.33 -29.32 10.35 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.893 -1.129 . . . . 0.0 111.157 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 t -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.841 -1.162 . . . . 0.0 109.858 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.47 64.1 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 20' ' ' ARG . 36.1 ttt-85 -62.17 -47.73 83.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.879 -1.365 . . . . 0.0 109.233 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 95.5 mt-10 -149.84 159.98 43.94 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.402 -0.811 . . . . 0.0 109.495 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.0 -171.02 32.35 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -81.96 158.08 24.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.44 -1.036 . . . . 0.0 109.386 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.877 ' HZ1' ' NE2' ' A' ' 15' ' ' HIS . 49.1 mtpt -80.0 -10.34 59.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.03 -35.7 64.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.512 -0.742 . . . . 0.0 110.665 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -130.03 157.96 40.92 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.242 -0.911 . . . . 0.0 110.58 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -119.58 126.29 50.84 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -84.72 158.58 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 108.909 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -50.92 -37.31 43.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.736 -1.227 . . . . 0.0 108.439 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.603 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 79.2 p -62.89 -42.82 99.91 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.385 -0.822 . . . . 0.0 109.703 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.603 ' N ' ' HG ' ' A' ' 30' ' ' SER . 84.7 mt-10 -70.0 -40.01 75.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.78 -32.75 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 0.0 108.204 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.07 -40.05 84.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -65.89 -41.51 91.44 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 2.9 tm? -60.02 -50.0 75.44 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.624 -0.672 . . . . 0.0 109.488 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.01 -40.19 67.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.594 -1.316 . . . . 0.0 110.692 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.677 HD21 ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.57 -25.47 57.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.351 -1.468 . . . . 0.0 110.697 -178.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.677 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -89.71 -30.02 18.34 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.923 -1.111 . . . . 0.0 111.061 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 13.8 mp0 -95.53 -20.07 19.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.218 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 41' ' ' SER . 14.1 mt -112.89 56.97 0.67 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.102 -0.999 . . . . 0.0 108.465 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 40' ' ' LEU . 22.7 t -49.07 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -111.93 -4.03 14.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.359 -0.838 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 87.0 m-85 -69.99 -29.97 67.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.392 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.52 -159.32 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 138.38 11.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.117 -0.989 . . . . 0.0 110.261 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 41' ' ' SER . 18.0 tp10 -99.62 120.13 39.18 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.6 mm -92.84 118.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 122.197 0.999 . . . . 0.0 109.464 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.76 -10.77 1.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -122.93 149.35 44.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.631 -0.668 . . . . 0.0 110.0 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.2 -22.79 62.89 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 8.2 pt-20 -60.03 -43.12 95.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.484 -0.76 . . . . 0.0 110.478 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 36.3 t -63.66 -46.86 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' MET . 39.6 t -59.99 -45.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.726 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -61.95 -46.89 87.31 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.618 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -69.38 -38.5 78.05 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.74 -36.79 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.1 mmm -70.02 -41.03 74.85 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.15 -31.05 71.49 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.334 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.26 -54.39 2.62 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' MET . 27.7 t0 -82.29 58.22 3.96 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.74 2.07 2.14 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.997 0.903 . . . . 0.0 108.743 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -73.67 -34.02 64.73 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 10.05 84.2 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 106.896 -2.481 . . . . 0.0 106.896 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.2 p-10 -79.65 1.4 26.39 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.93 76.58 Favored Glycine 0 N--CA 1.485 1.921 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.2 mt-10 -142.88 153.48 43.19 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.513 -0.993 . . . . 0.0 110.171 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 1.3 t -130.05 123.04 29.54 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -81.17 165.45 21.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.111 -0.993 . . . . 0.0 109.173 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 2.0 p90 -52.64 -40.02 62.35 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.025 -1.047 . . . . 0.0 108.905 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.25 -40.7 97.05 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.08 -1.012 . . . . 0.0 109.494 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -70.12 -40.32 74.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.981 -1.074 . . . . 0.0 109.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.513 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.7 t80 -65.93 -39.99 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.2 -32.62 71.26 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.78 65.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.291 -0.881 . . . . 0.0 110.305 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.88 -40.68 89.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.883 -1.135 . . . . 0.0 108.248 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.438 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.8 OUTLIER -62.13 -49.78 82.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 108.467 179.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 79' ' ' MET . 78.9 p -63.67 -41.97 98.11 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.413 0.625 . . . . 0.0 109.932 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.453 ' H ' ' HG ' ' A' ' 78' ' ' SER . 60.5 ttp -60.96 -45.17 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.823 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 t -80.04 -28.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.325 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 97.1 m -60.48 -40.05 89.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.766 -1.209 . . . . 0.0 109.132 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -67.27 -39.98 86.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.606 -0.684 . . . . 0.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.13 93.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.272 -0.893 . . . . 0.0 109.703 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.48 -40.02 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.118 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.533 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 11.7 t-160 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.425 -0.797 . . . . 0.0 109.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 72.4 mm-40 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.045 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -55.87 98.92 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.114 -0.991 . . . . 0.0 109.037 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' O ' ' A' ' 85' ' ' HIS . 60.1 m-85 -115.46 -40.49 3.4 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -106.18 123.58 48.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.506 -0.746 . . . . 0.0 109.884 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -60.1 -39.96 87.99 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.735 -0.603 . . . . 0.0 109.836 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.693 -179.229 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.333 0.587 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.05 88.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.282 -0.886 . . . . 0.0 109.308 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.04 -31.69 70.21 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.046 -1.034 . . . . 0.0 110.763 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE2' ' CG ' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.05 -51.78 68.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.966 -1.084 . . . . 0.0 110.733 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.9 72.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.645 -1.285 . . . . 0.0 109.051 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.0 95.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.366 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.98 -38.49 82.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.45 -0.781 . . . . 0.0 109.662 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.89 -39.96 81.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.29 99.59 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.651 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -40.0 96.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.888 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.41 -40.07 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 0.0 109.6 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.99 -39.55 75.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.049 -1.032 . . . . 0.0 109.455 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.28 -38.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -53.78 -49.98 67.08 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.07 -1.019 . . . . 0.0 109.799 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.695 ' HE2' ' HZ3' ' B' ' 24' ' ' LYS . 35.3 t-80 -79.09 -24.72 43.26 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.224 -0.923 . . . . 0.0 111.339 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.96 -44.51 94.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.101 -0.999 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.51 ' OH ' ' CG ' ' B' ' 73' ' ' PHE . 32.3 p90 -105.31 -29.28 10.38 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.945 -1.097 . . . . 0.0 111.064 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.1 t -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.926 -1.109 . . . . 0.0 109.946 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.83 3.63 63.92 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 20' ' ' ARG . 36.3 ttt-85 -62.25 -47.8 82.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.921 -1.341 . . . . 0.0 109.138 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 96.3 mt-10 -149.88 160.05 43.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.388 -0.82 . . . . 0.0 109.485 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.92 -171.52 31.07 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.32 158.05 24.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.443 -1.033 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.695 ' HZ3' ' HE2' ' B' ' 15' ' ' HIS . 48.6 mtpt -80.01 -10.41 59.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -73.9 -35.78 64.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.437 -0.789 . . . . 0.0 110.685 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -129.99 157.81 41.32 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.238 -0.914 . . . . 0.0 110.65 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -119.54 126.2 50.66 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -84.54 158.82 20.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 108.832 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.24 -37.16 45.49 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.752 -1.217 . . . . 0.0 108.414 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -62.94 -42.85 99.94 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.399 -0.813 . . . . 0.0 109.69 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 85.8 mt-10 -69.95 -40.05 75.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.979 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.57 -33.03 73.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.96 -1.087 . . . . 0.0 108.121 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.79 -39.99 82.72 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -66.15 -41.41 90.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.487 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 2.9 tm? -60.01 -49.97 75.59 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.555 -0.716 . . . . 0.0 109.453 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.681 -1.262 . . . . 0.0 110.675 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.696 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -75.47 -25.37 57.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.445 -1.409 . . . . 0.0 110.701 -178.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.696 ' N ' HD21 ' B' ' 37' ' ' ASN . 0.7 OUTLIER -89.83 -29.97 18.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.895 -1.128 . . . . 0.0 111.027 -178.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 14.1 mp0 -95.67 -20.07 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.821 -1.174 . . . . 0.0 109.866 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.66 56.45 0.67 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.092 -1.005 . . . . 0.0 108.42 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.9 t -48.85 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -111.76 -4.13 14.75 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.47 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 87.0 m-85 -69.95 -30.04 67.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.765 . . . . 0.0 109.39 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.57 -159.38 0.95 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 138.31 10.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.129 -0.982 . . . . 0.0 110.27 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 41' ' ' SER . 18.0 tp10 -99.77 120.04 39.1 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -92.71 118.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 122.171 0.986 . . . . 0.0 109.575 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.481 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.87 -10.68 1.55 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -123.1 149.31 44.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.647 -0.658 . . . . 0.0 110.059 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.17 -22.72 62.94 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 8.3 pt-20 -60.01 -43.1 95.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.482 -0.761 . . . . 0.0 110.41 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 35.6 t -63.62 -46.89 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.2 t -60.0 -45.43 95.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.803 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -62.03 -46.67 88.15 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.662 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.84 -38.26 76.44 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.61 -36.94 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.2 mmm -70.15 -40.67 74.61 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.57 -30.72 71.53 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -68.72 -40.07 80.1 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.283 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.47 -54.13 2.65 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 57' ' ' MET . 27.1 t0 -82.34 58.39 4.06 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.85 2.14 2.17 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.003 0.906 . . . . 0.0 108.736 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.1 m-20 -73.73 -34.05 64.61 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.39 10.1 84.01 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.2 p-10 -79.66 1.48 26.13 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.71 29.83 76.3 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.294 -1.922 . . . . 0.0 108.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.2 mt-10 -142.75 153.37 43.23 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.544 -0.974 . . . . 0.0 110.264 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 1.3 t -130.1 122.97 29.32 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.12 165.57 21.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.127 -0.983 . . . . 0.0 109.255 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.74 -40.07 62.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.001 -1.062 . . . . 0.0 108.929 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.2 -40.64 96.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.021 -1.05 . . . . 0.0 109.481 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.07 -40.47 75.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.969 -1.082 . . . . 0.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.51 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.7 t80 -65.84 -40.02 91.35 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.11 -32.75 71.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.74 65.78 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.307 -0.871 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.96 -40.96 90.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.88 -1.138 . . . . 0.0 108.11 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.436 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER -61.7 -49.86 82.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 108.532 179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.558 ' HG ' ' N ' ' B' ' 79' ' ' MET . 80.1 p -63.79 -42.16 97.78 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.558 ' N ' ' HG ' ' B' ' 78' ' ' SER . 60.3 ttp -60.62 -45.2 94.94 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.866 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 t -80.0 -28.78 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.009 -1.057 . . . . 0.0 109.337 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 96.0 m -60.51 -39.98 89.76 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.753 -1.217 . . . . 0.0 109.144 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -67.24 -39.97 86.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.627 -0.67 . . . . 0.0 109.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.16 93.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.68 -40.0 93.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.101 -0.999 . . . . 0.0 109.103 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.532 ' O ' ' CZ ' ' B' ' 88' ' ' PHE . 11.7 t-160 -59.99 -39.99 87.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.454 -0.779 . . . . 0.0 109.87 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 72.4 mm-40 -60.03 -39.99 87.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.291 -0.881 . . . . 0.0 110.087 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -55.86 99.13 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.159 -0.963 . . . . 0.0 109.041 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' O ' ' B' ' 85' ' ' HIS . 59.7 m-85 -115.69 -40.77 3.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.422 -0.799 . . . . 0.0 110.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -105.97 123.55 48.16 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.731 0.776 . . . . 0.0 109.84 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -60.01 -39.98 87.69 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.689 -0.632 . . . . 0.0 109.88 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.695 -179.162 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' X' ' 2' ' ' ARG . 4.0 ptm180 -101.12 139.19 37.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.363 -0.835 . . . . 0.0 109.342 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 74.3 p -133.26 158.39 43.04 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.77 . . . . 0.0 109.448 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -133.76 159.48 40.46 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.923 0.868 . . . . 0.0 110.287 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.0 OUTLIER -91.18 162.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 178.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.78 66.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 122.079 0.943 . . . . 0.0 109.479 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.528 ' N ' ' O ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -69.65 -24.73 63.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.676 -0.64 . . . . 0.0 109.757 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -51.63 -40.46 59.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.888 -1.133 . . . . 0.0 109.172 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -60.25 -39.97 88.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 108.661 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.24 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.023 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -39.98 87.82 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.417 -0.802 . . . . 0.0 108.907 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.657 -179.817 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' Y' ' 2' ' ' ARG . 4.0 ptm180 -101.1 139.12 37.23 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 109.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 75.3 p -133.08 158.5 42.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.477 -0.765 . . . . 0.0 109.403 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -133.95 159.42 40.79 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.906 0.86 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' Y' ' 7' ' ' TRP . 0.0 OUTLIER -91.11 162.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 178.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.82 66.34 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 122.012 0.91 . . . . 0.0 109.464 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.546 ' N ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -69.6 -24.71 63.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.72 -0.613 . . . . 0.0 109.766 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -51.73 -40.36 60.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.878 -1.139 . . . . 0.0 109.106 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.13 -40.05 88.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 108.57 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.34 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.366 -0.834 . . . . 0.0 110.06 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.02 -39.98 87.71 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 0.0 109.003 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.608 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.313 0.578 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -37.23 86.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.0 108.993 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.23 -24.05 67.53 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.965 -1.085 . . . . 0.0 110.824 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.711 -1.243 . . . . 0.0 110.058 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HZ3' ' NZ ' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -70.39 -33.33 71.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.2 . . . . 0.0 109.013 179.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.49 92.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.434 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 62.1 tpp -59.97 -40.69 89.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 0.0 109.039 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -40.12 82.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.78 96.05 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.515 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.13 -39.89 82.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.898 -1.126 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 11' ' ' ILE . 96.1 mt -65.71 -41.48 90.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.104 -0.998 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.88 -40.46 68.91 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 109.361 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 t -60.02 -32.02 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' O ' ' OG ' ' A' ' 18' ' ' SER . 56.4 t80 -60.01 -50.0 75.44 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.389 -0.925 . . . . 0.0 109.401 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -72.97 -27.9 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -0.947 . . . . 0.0 111.993 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.024 -1.047 . . . . 0.0 111.689 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.47 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 60.6 m-85 -117.01 -21.77 8.75 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.989 -1.069 . . . . 0.0 111.508 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 83.0 p -66.56 -36.71 83.33 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.438 -1.414 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.88 8.36 79.9 Favored Glycine 0 N--CA 1.495 2.594 0 C-N-CA 119.606 -1.283 . . . . 0.0 110.565 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -73.69 -40.02 63.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.677 -1.484 . . . . 0.0 109.65 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -147.72 153.02 38.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.27 -0.894 . . . . 0.0 109.111 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.88 -169.25 48.84 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -76.44 150.87 36.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.294 -1.121 . . . . 0.0 109.323 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.07 -39.07 88.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.697 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -79.94 -2.99 46.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.348 -0.845 . . . . 0.0 111.522 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.19 148.15 51.1 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.863 -1.148 . . . . 0.0 110.048 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -120.01 112.26 18.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.626 -0.672 . . . . 0.0 109.28 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 24.4 ttpp -84.15 149.58 26.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.982 -1.074 . . . . 0.0 108.503 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.3 ptmt -40.41 -39.97 1.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.723 -0.61 . . . . 0.0 110.468 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.513 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -64.68 -44.37 90.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.176 -0.953 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 38.1 tt0 -69.32 -32.45 71.58 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.075 -1.016 . . . . 0.0 108.564 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.07 -36.04 79.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.622 -0.674 . . . . 0.0 109.297 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -59.94 -45.31 93.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.442 -0.786 . . . . 0.0 110.086 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.04 -34.44 73.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.039 -1.038 . . . . 0.0 109.693 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.02 -52.31 65.91 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.361 -0.837 . . . . 0.0 109.63 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.97 -43.73 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.01 -38.16 81.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.891 . . . . 0.0 110.979 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.4 t30 -82.75 -36.26 25.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.922 -1.111 . . . . 0.0 111.185 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -77.85 -40.74 39.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.361 -1.462 . . . . 0.0 108.496 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' SER . 11.8 mt -101.47 49.32 0.87 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 40' ' ' LEU . 24.7 m -47.25 -93.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.154 -0.966 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -116.59 -8.07 11.53 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.417 -0.802 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 108.716 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.75 -154.79 0.59 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -53.97 134.09 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.621 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 86.2 tt0 -106.81 122.29 46.1 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.436 HG23 HD12 ' A' ' 47' ' ' ILE . 45.1 mm -92.04 109.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.966 0.889 . . . . 0.0 110.148 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -127.75 -8.04 5.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.9 tp10 -123.49 136.95 54.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.2 -23.4 67.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.257 -0.902 . . . . 0.0 109.955 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.4 pt-20 -59.74 -40.19 87.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.847 . . . . 0.0 110.067 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' VAL . 16.0 t -63.54 -49.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.0 t -59.94 -45.3 95.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.963 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -61.93 -46.11 90.78 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.143 -1.423 . . . . 0.0 108.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.13 -38.98 75.69 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.309 -0.87 . . . . 0.0 109.666 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' VAL . 41.8 t -76.48 -32.86 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-O 121.656 0.741 . . . . 0.0 109.092 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.575 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.8 tpt -70.66 -46.0 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.85 -31.45 72.64 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -69.58 -39.95 77.02 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.533 0.683 . . . . 0.0 109.432 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.12 -57.75 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 13.5 t0 -82.55 58.07 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -66.94 4.26 0.89 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.727 0.775 . . . . 0.0 109.247 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.9 m-20 -76.26 -26.72 56.25 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.39 10.05 85.81 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.7 p-10 -86.92 0.01 55.76 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.95 28.39 73.07 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 48.4 mt-10 -146.05 153.81 41.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.407 -1.055 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.84 126.51 38.2 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.37 170.05 16.48 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.883 -1.136 . . . . 0.0 109.095 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 32.8 p90 -57.14 -41.02 78.32 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.204 -0.999 . . . . 0.0 108.601 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 20.3 tm0? -59.97 -41.12 91.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.208 -0.932 . . . . 0.0 108.92 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.13 -40.05 96.47 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.308 -0.87 . . . . 0.0 109.053 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.03 -39.02 84.44 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.99 -34.16 72.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.14 71.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 110.577 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.0 -40.05 87.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.717 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.4 t -59.97 -40.0 81.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -59.92 -40.94 90.58 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.914 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -63.26 -46.47 86.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.93 -28.31 11.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -66.0 -40.06 90.82 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.037 -1.039 . . . . 0.0 108.676 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 p -74.7 -40.01 61.61 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.748 -0.595 . . . . 0.0 109.97 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.53 91.45 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 0.0 109.745 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.79 -44.15 90.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.203 -0.936 . . . . 0.0 109.406 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -62.74 -40.12 96.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.413 -0.804 . . . . 0.0 109.868 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.12 -39.89 87.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.238 -0.914 . . . . 0.0 109.68 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.7 112.82 24.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.025 -1.047 . . . . 0.0 109.719 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.515 ' OE2' ' N ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -112.62 -19.24 12.15 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.047 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.515 ' N ' ' OE2' ' A' ' 89' ' ' GLU . 86.7 t60 -60.13 -40.03 88.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 0.0 109.25 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.426 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.317 0.579 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 108.945 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.72 -24.23 67.69 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.043 -1.035 . . . . 0.0 110.796 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -50.02 75.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.723 -1.236 . . . . 0.0 110.034 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' HZ3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -70.89 -32.85 69.95 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.732 -1.23 . . . . 0.0 109.005 179.431 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.73 92.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 0.0 109.267 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.5 tpp -60.12 -40.75 90.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.902 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.07 -39.92 81.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.63 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.463 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.28 -40.02 81.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.138 . . . . 0.0 109.234 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.423 HD11 HG23 ' B' ' 11' ' ' ILE . 96.2 mt -65.55 -41.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.127 -0.983 . . . . 0.0 109.097 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.73 -40.41 69.43 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.817 -1.177 . . . . 0.0 109.485 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.04 -32.14 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.461 ' O ' ' OG ' ' B' ' 18' ' ' SER . 56.2 t80 -59.81 -50.01 75.48 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.357 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -72.98 -27.86 62.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.198 -0.939 . . . . 0.0 112.065 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.92 -39.96 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.009 -1.057 . . . . 0.0 111.713 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 60.5 m-85 -117.28 -21.71 8.61 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.01 -1.056 . . . . 0.0 111.474 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 83.2 p -66.6 -36.75 83.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.534 -1.354 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.72 8.2 80.16 Favored Glycine 0 N--CA 1.495 2.615 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.618 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -73.5 -39.94 64.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.737 -1.449 . . . . 0.0 109.707 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -147.87 152.68 38.01 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.084 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.85 -169.22 48.79 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -76.49 150.78 36.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 109.295 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.02 -39.04 88.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 109.69 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -80.02 -3.0 46.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 111.448 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -129.27 148.25 51.18 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.903 -1.123 . . . . 0.0 110.115 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 mt -120.08 112.19 18.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.685 -0.634 . . . . 0.0 109.335 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' OG ' ' B' ' 30' ' ' SER . 24.5 ttpp -83.96 149.63 26.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.908 -1.12 . . . . 0.0 108.553 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 17.2 ptmt -40.25 -39.93 1.03 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.47 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.676 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 60.3 p -65.05 -44.02 90.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 110.265 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.676 ' N ' ' HG ' ' B' ' 30' ' ' SER . 38.0 tt0 -69.51 -32.54 71.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.047 -1.033 . . . . 0.0 108.541 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.04 -35.94 79.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.663 -0.648 . . . . 0.0 109.307 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.09 -45.43 92.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 0.0 109.969 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.05 -34.34 73.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -52.26 66.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.99 -43.63 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 110.181 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.04 -38.21 82.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.421 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.3 t30 -82.72 -36.15 26.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.915 -1.115 . . . . 0.0 111.25 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.93 -40.77 38.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.496 -1.377 . . . . 0.0 108.445 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 41' ' ' SER . 11.8 mt -101.49 49.32 0.87 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 40' ' ' LEU . 21.0 m -47.29 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -116.56 -8.28 11.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.422 -0.799 . . . . 0.0 109.515 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.98 -30.74 68.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.67 -154.6 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.21 134.42 44.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.107 . . . . 0.0 109.522 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' B' ' 48' ' ' LYS . 86.2 tt0 -106.96 122.79 47.13 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.421 HG23 HD12 ' B' ' 47' ' ' ILE . 43.6 mm -92.5 109.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.044 0 CA-C-O 121.92 0.867 . . . . 0.0 110.033 -177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -127.62 -8.18 5.66 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.122 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 50.1 tp10 -123.31 136.93 54.91 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.13 -23.11 67.2 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.256 -0.903 . . . . 0.0 110.044 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.432 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -60.0 -40.25 88.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.378 -0.826 . . . . 0.0 110.008 -178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.4 t -63.51 -48.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 57' ' ' MET . 3.8 t -60.03 -45.23 95.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.072 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.98 -46.13 90.59 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.204 -1.398 . . . . 0.0 108.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' B' ' 59' ' ' THR . 25.6 mtpp -70.15 -38.88 75.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.36 -0.838 . . . . 0.0 109.748 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -76.65 -32.85 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-O 121.656 0.741 . . . . 0.0 109.045 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 53' ' ' VAL . 9.6 tpt -70.5 -46.21 64.14 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.92 -31.34 72.49 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 94.1 m -69.41 -39.86 77.65 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.561 0.696 . . . . 0.0 109.519 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.24 -57.85 2.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 13.1 t0 -82.46 57.79 3.85 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -66.51 4.0 0.85 Allowed 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.727 0.775 . . . . 0.0 109.277 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.0 m-20 -76.11 -26.77 56.73 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 10.03 85.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.6 p-10 -86.94 -0.03 55.87 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.0 28.22 73.2 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.542 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 48.5 mt-10 -145.9 153.7 41.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.339 -1.095 . . . . 0.0 110.801 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.65 126.48 38.47 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.51 170.01 16.43 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.042 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 33.2 p90 -56.72 -41.43 77.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.113 -0.992 . . . . 0.0 108.554 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.549 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 20.4 tm0? -59.99 -40.97 90.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.96 . . . . 0.0 108.867 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.22 -39.93 96.04 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.248 -0.908 . . . . 0.0 109.057 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.03 -38.98 84.31 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.2 tpt -60.06 -34.05 72.88 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.84 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.03 -40.13 88.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.85 -1.156 . . . . 0.0 108.837 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.427 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.4 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -59.99 -41.09 91.3 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.905 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtm -63.16 -46.57 86.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.114 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.79 -28.31 11.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.054 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.434 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 94.6 m -66.05 -39.94 90.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.118 -0.989 . . . . 0.0 108.798 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -74.78 -39.98 61.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 109.986 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.45 91.23 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.93 -44.05 90.75 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 109.444 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.89 -40.06 96.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 109.791 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.03 -39.95 87.65 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.341 -0.85 . . . . 0.0 110.569 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.932 . . . . 0.0 109.679 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.46 112.79 24.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.963 -1.085 . . . . 0.0 109.734 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -112.63 -19.19 12.16 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.526 ' N ' ' OE2' ' B' ' 89' ' ' GLU . 86.7 t60 -60.17 -40.02 88.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.317 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' X' ' 3' ' ' THR . 99.3 mtt180 -59.98 -51.03 71.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.261 -0.899 . . . . 0.0 109.571 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.489 ' C ' ' O ' ' X' ' 2' ' ' ARG . 7.6 p 31.38 -109.3 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.213 0 CA-C-O 121.524 0.678 . . . . 0.0 110.519 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' X' ' 2' ' ' ARG . 96.0 mttt -81.49 160.7 23.89 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.487 -0.758 . . . . 0.0 109.452 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.554 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.4 pp -67.52 -167.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 122.126 0.965 . . . . 0.0 108.886 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.85 38.24 0.05 Allowed 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.934 0.873 . . . . 0.0 109.665 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.554 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -59.94 -24.61 64.51 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -59.88 -39.97 87.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 108.996 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.15 -34.05 74.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.293 -0.88 . . . . 0.0 109.283 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 99.3 mt -60.01 -40.39 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 110.148 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.408 ' O ' ' OG ' ' X' ' 12' ' ' SER . 10.3 mp -55.84 -39.96 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.137 . . . . 0.0 108.862 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' X' ' 11' ' ' LEU . 61.8 p . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.666 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' Y' ' 3' ' ' THR . 99.2 mtt180 -59.99 -51.17 70.81 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 109.595 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.489 ' C ' ' O ' ' Y' ' 2' ' ' ARG . 7.7 p 31.48 -109.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.436 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' Y' ' 2' ' ' ARG . 95.2 mttt -81.34 160.57 24.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.471 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.548 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.4 pp -67.42 -167.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.156 0.979 . . . . 0.0 108.87 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.78 38.62 0.05 Allowed 'General case' 0 C--N 1.28 -2.42 0 CA-C-O 121.893 0.854 . . . . 0.0 109.594 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.548 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.19 -24.68 64.98 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -59.87 -39.85 86.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.079 -1.013 . . . . 0.0 108.984 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.21 -34.08 74.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.254 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.04 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.888 . . . . 0.0 110.171 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' O ' ' OG ' ' Y' ' 12' ' ' SER . 10.5 mp -56.18 -40.06 73.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.825 -1.172 . . . . 0.0 108.924 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' Y' ' 11' ' ' LEU . 65.2 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.535 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.7 -39.78 91.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.178 -0.952 . . . . 0.0 109.504 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -26.54 68.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.586 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.8 tt0 -60.02 -48.81 80.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.946 -1.096 . . . . 0.0 110.524 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -66.62 -39.68 88.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.593 -1.317 . . . . 0.0 109.471 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.34 87.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.299 -0.875 . . . . 0.0 110.19 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.3 -42.54 95.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.832 -1.167 . . . . 0.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.06 -40.28 82.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.41 94.07 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.802 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.14 -40.5 94.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.027 -1.046 . . . . 0.0 108.799 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -68.2 -40.3 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.702 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -74.07 -40.1 63.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.609 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.08 -34.9 58.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.97 -50.01 75.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.515 -0.741 . . . . 0.0 109.742 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -72.01 -31.8 66.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.533 -0.729 . . . . 0.0 110.767 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.49 89.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 111.427 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.491 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 89.4 m-85 -93.08 -28.22 16.48 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.779 -1.2 . . . . 0.0 111.024 -178.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -65.83 -38.69 89.59 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.27 3.24 32.26 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.176 -0.952 . . . . 0.0 110.908 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -60.07 -47.39 86.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.35 . . . . 0.0 109.045 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -168.19 158.46 10.15 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.457 -0.777 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.12 -165.91 51.14 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 55.9 t0 -79.53 142.15 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.441 -1.035 . . . . 0.0 109.664 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.3 mtmp? -69.44 -27.77 65.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.473 -0.767 . . . . 0.0 109.954 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.99 -18.29 61.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.584 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.77 149.66 51.42 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.204 -0.935 . . . . 0.0 110.585 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.93 130.48 56.51 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpp -96.32 150.41 20.59 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.126 -0.984 . . . . 0.0 108.715 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.0 mtmt -37.44 -49.68 1.04 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.693 -0.629 . . . . 0.0 110.487 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -60.1 -39.92 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.052 -1.03 . . . . 0.0 109.794 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.1 mt-10 -64.34 -39.96 94.94 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 0.0 108.998 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.43 -37.27 80.12 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.38 -0.825 . . . . 0.0 109.11 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.49 -40.08 74.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.046 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.42 -40.53 81.17 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.059 -1.057 . . . . 0.0 108.255 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.0 -51.04 71.36 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.611 -0.681 . . . . 0.0 110.41 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.97 -40.6 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.065 -1.022 . . . . 0.0 110.567 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.46 -28.98 62.24 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.176 -1.578 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.491 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -86.65 -50.53 6.73 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.051 -1.031 . . . . 0.0 110.739 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -83.3 -43.51 15.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.938 -1.101 . . . . 0.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -98.76 30.99 3.08 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 40' ' ' LEU . 39.4 t -42.66 -104.07 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.264 0.554 . . . . 0.0 111.988 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 50.7 p-80 -92.53 -8.12 45.36 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.903 -1.123 . . . . 0.0 110.173 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.4 m-85 -69.1 -39.75 78.81 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.209 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 45' ' ' GLU . 10.7 mt -142.49 122.42 13.6 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -0.751 . . . . 0.0 109.683 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' LEU . 17.7 tp10 40.64 103.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.833 -0.542 . . . . 0.0 111.645 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -81.3 119.03 23.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.442 HD12 HG22 ' A' ' 47' ' ' ILE . 28.1 mm -81.86 108.17 14.67 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.422 0 CA-C-O 121.971 0.891 . . . . 0.0 109.181 -178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.85 -15.68 10.65 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 80.2 mt-10 -122.77 152.92 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.818 0.818 . . . . 0.0 110.387 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.37 -21.19 60.58 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.54 -43.32 97.31 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.023 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.99 -49.58 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.5 t -60.34 -47.17 93.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.276 -0.875 . . . . 0.0 108.981 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.22 -43.71 95.79 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.196 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -70.01 -38.93 76.08 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.39 -0.819 . . . . 0.0 109.38 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.56 -31.75 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.098 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 53' ' ' VAL . 12.5 tpt -72.12 -41.84 66.73 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.13 -30.13 70.19 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 m -64.07 -32.68 74.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.295 0.569 . . . . 0.0 109.686 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 39.1 mt -104.45 -50.64 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 63' ' ' ASP . 66.8 t0 -72.27 56.01 0.34 Allowed 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.49 7.93 0.29 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.701 0.762 . . . . 0.0 109.103 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.8 m-20 -95.08 -27.81 15.41 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 10.08 85.98 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.0 p-10 -80.4 3.06 22.53 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.652 -0.911 . . . . 0.0 108.582 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.81 29.31 71.12 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.0 mt-10 -145.72 156.06 43.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.484 -1.01 . . . . 0.0 110.239 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.48 121.18 26.74 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -80.0 169.1 18.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 17.7 p90 -59.39 -39.94 84.97 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 53.3 tp60 -61.71 -40.35 94.72 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.359 -0.838 . . . . 0.0 108.801 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -70.03 -42.19 73.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.901 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -65.86 -34.56 78.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 108.96 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -32.05 70.49 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 108.777 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.25 65.33 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.018 -1.051 . . . . 0.0 109.742 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -60.0 -41.44 92.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.128 -0.983 . . . . 0.0 109.521 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -40.59 87.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 120.969 -1.082 . . . . 0.0 108.49 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -65.21 -43.13 92.5 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.759 -0.588 . . . . 0.0 111.127 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -73.75 -39.99 63.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.857 -1.152 . . . . 0.0 110.813 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.49 -32.69 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.801 -1.187 . . . . 0.0 108.98 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -65.69 -39.84 91.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.975 -1.078 . . . . 0.0 108.23 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -63.92 -40.01 95.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.99 -41.63 92.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.058 -1.026 . . . . 0.0 108.54 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.38 -40.08 89.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.47 -0.769 . . . . 0.0 108.959 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.6 -6.16 10.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.53 -0.731 . . . . 0.0 110.4 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -48.87 -20.01 0.45 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.085 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.32 114.47 3.2 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.922 -1.111 . . . . 0.0 108.03 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' A' ' 91' ' ' GLU . 19.8 pt-20 -94.47 -0.26 54.84 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.304 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t60 64.49 -22.77 0.07 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.524 -0.735 . . . . 0.0 110.424 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.596 ' H ' ' C ' ' A' ' 89' ' ' GLU . 86.8 tt0 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.981 -1.074 . . . . 0.0 109.434 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.532 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.83 -26.64 68.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -0.913 . . . . 0.0 110.433 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.8 tt0 -59.73 -49.34 78.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.001 -1.062 . . . . 0.0 110.413 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -66.34 -39.53 89.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.538 -1.352 . . . . 0.0 109.546 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.62 87.13 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.896 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 ttm -60.08 -42.53 94.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.819 -1.176 . . . . 0.0 109.001 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.98 -40.56 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.78 93.05 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.707 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.84 -40.66 93.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.981 -1.075 . . . . 0.0 108.879 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.41 HD13 HG21 ' B' ' 11' ' ' ILE . 91.9 mt -68.07 -40.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 108.787 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -74.09 -40.11 62.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.086 -1.009 . . . . 0.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.7 t -60.09 -35.06 59.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.9 -50.02 75.41 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -71.77 -32.08 67.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.649 -0.657 . . . . 0.0 110.804 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.26 89.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 111.378 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 90.2 m-85 -93.08 -28.01 16.61 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.654 -1.279 . . . . 0.0 111.106 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -65.82 -38.88 90.12 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.961 -1.087 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.95 3.04 30.66 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.197 -0.939 . . . . 0.0 111.026 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -60.06 -47.4 86.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.886 -1.361 . . . . 0.0 109.078 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -168.24 158.37 9.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 109.621 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.98 -165.93 51.38 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 55.4 t0 -79.23 142.21 36.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.048 . . . . 0.0 109.808 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.51 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 8.4 mtmp? -69.43 -27.99 65.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -0.801 . . . . 0.0 109.933 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.73 -18.9 61.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.898 . . . . 0.0 110.631 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.15 149.87 50.78 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.135 -0.978 . . . . 0.0 110.643 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.84 130.55 56.46 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 31' ' ' GLU . 24.5 ttpp -96.27 150.48 20.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.149 -0.969 . . . . 0.0 108.668 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.8 mtmt -37.52 -49.65 1.07 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.692 -0.63 . . . . 0.0 110.489 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -59.96 -40.25 88.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.0 109.795 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 37.9 mt-10 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.0 109.124 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.25 -37.79 81.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.116 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -56.28 -40.06 73.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 108.989 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.16 -40.84 82.22 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.99 -51.12 71.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.544 -0.722 . . . . 0.0 110.423 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.6 -41.02 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.047 -1.033 . . . . 0.0 110.574 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -73.33 -28.66 62.19 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.17 -1.581 . . . . 0.0 110.572 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.502 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -86.91 -50.53 6.63 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.907 -1.121 . . . . 0.0 110.722 -178.323 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -83.2 -43.59 15.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.952 -1.093 . . . . 0.0 110.7 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -98.68 31.03 3.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.448 ' O ' ' O ' ' B' ' 40' ' ' LEU . 39.0 t -42.69 -103.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.773 -0.58 . . . . 0.0 112.137 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.0 p-80 -92.98 -7.93 44.49 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.882 -1.137 . . . . 0.0 110.176 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 87.3 m-85 -69.19 -39.86 78.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 45' ' ' GLU . 10.6 mt -142.44 122.63 13.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.784 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 44' ' ' LEU . 17.9 tp10 40.23 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 178.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.34 118.93 23.06 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.449 HD12 HG22 ' B' ' 47' ' ' ILE . 27.5 mm -81.78 108.28 14.72 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.93 0.871 . . . . 0.0 109.278 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.99 -15.59 10.58 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -122.76 152.57 40.5 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.766 0.793 . . . . 0.0 110.438 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.34 -21.28 60.58 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.38 -43.31 96.73 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.08 -49.57 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.5 t -60.37 -47.22 93.32 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.95 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.32 -43.45 96.35 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.217 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.06 -39.18 75.82 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.305 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -76.17 -31.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 CA-C-O 121.649 0.738 . . . . 0.0 109.101 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.6 tpt -71.95 -41.8 67.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.22 -30.08 70.22 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -64.24 -32.72 74.42 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 41.4 mt -104.13 -50.97 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 66.6 t0 -71.95 55.82 0.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.34 7.99 0.27 Allowed 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.702 0.763 . . . . 0.0 109.051 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.8 m-20 -95.12 -27.96 15.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.11 85.91 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.578 -1.809 . . . . 0.0 108.578 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.4 p-10 -80.48 3.35 21.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.585 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.52 29.07 71.71 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -145.68 155.84 43.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.454 -1.027 . . . . 0.0 110.353 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -129.69 121.21 26.5 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -79.79 169.09 18.44 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 109.554 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 18.8 p90 -59.43 -40.03 85.42 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 53.9 tp60 -61.54 -40.41 94.59 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.265 -0.897 . . . . 0.0 108.925 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -69.98 -42.0 73.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.137 -0.977 . . . . 0.0 109.825 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -65.97 -34.49 78.23 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -31.92 70.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.149 -0.969 . . . . 0.0 108.931 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.32 65.05 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.079 -1.013 . . . . 0.0 109.75 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.96 -41.2 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.147 -0.971 . . . . 0.0 109.471 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -40.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 108.399 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -64.83 -43.32 93.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.809 -0.557 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.6 -40.0 64.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.82 -1.175 . . . . 0.0 110.907 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.68 -32.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.742 -1.224 . . . . 0.0 109.139 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 49.4 m -65.92 -39.98 91.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.002 -1.062 . . . . 0.0 108.163 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -63.57 -40.15 96.25 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.18 91.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.5 m -59.92 -41.31 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.973 -1.079 . . . . 0.0 108.596 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.74 -39.76 89.9 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.03 -5.78 10.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.687 -0.633 . . . . 0.0 110.394 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -49.16 -20.04 0.53 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.994 -1.066 . . . . 0.0 110.127 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.25 114.44 3.16 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.877 -1.139 . . . . 0.0 108.018 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.609 ' C ' ' H ' ' B' ' 91' ' ' GLU . 19.7 pt-20 -94.58 -0.14 54.76 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.152 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t60 64.36 -22.48 0.07 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.53 -0.731 . . . . 0.0 110.46 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.609 ' H ' ' C ' ' B' ' 89' ' ' GLU . 86.8 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.974 -1.079 . . . . 0.0 109.489 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 50.31 42.23 25.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.18 -0.95 . . . . 0.0 108.991 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t -144.77 160.02 41.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.343 -0.848 . . . . 0.0 109.78 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.91 157.84 14.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.108 -0.995 . . . . 0.0 108.898 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.612 ' CD1' ' N ' ' X' ' 6' ' ' ASP . 2.7 pp -46.52 -57.41 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.028 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.612 ' N ' ' CD1' ' X' ' 5' ' ' ILE . 12.8 t0 -174.41 29.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -49.85 -24.11 2.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 109.198 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.656 ' ND2' ' H ' ' X' ' 8' ' ' ASN . 0.7 OUTLIER -53.49 -46.19 69.94 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.564 -179.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' X' ' 6' ' ' ASP . 63.2 mttp -70.06 -39.87 75.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.619 -0.676 . . . . 0.0 109.724 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.34 -53.91 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.197 -0.939 . . . . 0.0 110.352 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.58 -39.78 92.38 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.44 -0.788 . . . . 0.0 109.295 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.343 179.675 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 50.22 42.42 25.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.907 . . . . 0.0 109.205 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -144.94 160.21 41.7 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.298 -0.876 . . . . 0.0 109.655 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -60.64 158.24 12.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.899 . . . . 0.0 108.945 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' Y' ' 6' ' ' ASP . 2.7 pp -47.09 -57.05 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.094 -1.004 . . . . 0.0 110.17 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.598 ' N ' ' CD1' ' Y' ' 5' ' ' ILE . 13.1 t0 -174.37 28.54 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -49.37 -24.08 1.76 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.622 -0.674 . . . . 0.0 109.242 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.66 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 0.7 OUTLIER -53.56 -46.31 70.21 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 108.647 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -69.96 -39.93 75.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.94 -55.09 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.18 -39.8 87.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.356 -0.84 . . . . 0.0 109.521 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.386 179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 86.4 tt0 -60.5 -39.96 89.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.373 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.44 -23.26 37.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.5 -0.75 . . . . 0.0 110.258 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.0 tt0 -59.96 -49.45 77.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -69.54 -29.41 66.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.778 -1.201 . . . . 0.0 109.154 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.52 -40.34 57.15 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.546 -0.721 . . . . 0.0 110.467 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.7 ttm -60.02 -45.34 93.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 110.059 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -61.61 -39.6 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.02 93.93 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.758 -0.589 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.86 -41.11 92.07 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.411 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.3 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.142 -0.974 . . . . 0.0 108.975 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.25 -42.54 54.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.335 -0.853 . . . . 0.0 109.967 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.5 -34.51 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' O ' ' OG ' ' A' ' 18' ' ' SER . 86.1 t80 -59.08 -48.06 82.98 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 109.057 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -69.95 -30.67 68.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.198 -0.939 . . . . 0.0 110.952 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' OE1' ' B' ' 2' ' ' GLU . 77.0 mt-30 -59.9 -45.5 92.35 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.773 -1.205 . . . . 0.0 112.177 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -104.71 -28.62 11.1 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.776 -1.203 . . . . 0.0 110.714 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 93.6 p -60.08 -38.09 81.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.44 -1.413 . . . . 0.0 108.683 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.72 9.82 10.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 20' ' ' ARG . 37.3 ttt-85 -60.14 -37.31 79.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -1.106 . . . . 0.0 109.701 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -140.34 168.59 19.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.269 -0.894 . . . . 0.0 109.953 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.27 -29.64 16.4 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 26' ' ' LYS . 49.3 t0 -69.7 65.59 0.21 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.754 -1.439 . . . . 0.0 109.769 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -72.65 -33.26 66.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.798 . . . . 0.0 109.666 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -70.68 -34.34 71.89 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.554 -0.716 . . . . 0.0 110.635 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 91.9 mttt -129.78 156.3 44.54 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.226 -0.921 . . . . 0.0 110.088 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -106.19 124.51 49.7 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.474 -0.767 . . . . 0.0 109.044 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' GLU . 78.7 tttt -91.46 151.86 20.61 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.0 108.616 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.2 ptpt -41.22 -39.56 1.37 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.382 -0.824 . . . . 0.0 110.034 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.5 p -63.61 -40.62 97.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.154 -0.966 . . . . 0.0 109.378 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' LYS . 43.4 mt-10 -67.43 -40.25 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.175 -0.953 . . . . 0.0 109.055 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -67.66 -40.02 84.5 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 2.8 tm? -59.89 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.443 -0.785 . . . . 0.0 109.352 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.4 mt -72.36 -42.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 120.592 -1.317 . . . . 0.0 110.24 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -73.63 -24.01 59.96 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.463 -1.398 . . . . 0.0 110.967 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' ND2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -90.09 -33.96 16.09 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.7 -1.25 . . . . 0.0 111.463 -178.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.534 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 39.5 mp0 -109.01 -32.75 7.13 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.856 -1.153 . . . . 0.0 111.049 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 1.1 mm? -99.95 19.53 16.03 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.877 -1.139 . . . . 0.0 108.174 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.675 ' HG ' ' H ' ' A' ' 42' ' ' HIS . 79.7 p -44.59 -101.21 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.813 -0.554 . . . . 0.0 111.932 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.675 ' H ' ' HG ' ' A' ' 41' ' ' SER . 55.6 t-80 -87.11 -22.39 25.42 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.154 -0.966 . . . . 0.0 111.391 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 97.3 m-85 -61.17 -30.18 70.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.648 -1.283 . . . . 0.0 108.801 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -141.36 -155.62 0.6 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -50.42 137.75 18.34 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.697 -1.252 . . . . 0.0 110.96 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 7.5 pt-20 -100.2 122.02 42.37 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.4 mm -91.36 120.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 CA-C-O 122.032 0.92 . . . . 0.0 109.809 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -133.96 -12.02 2.58 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -122.03 153.0 39.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 0.0 110.329 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -72.47 -23.28 61.02 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.5 pt-20 -60.25 -45.54 92.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.401 -0.812 . . . . 0.0 110.136 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.3 t -61.97 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 57' ' ' MET . 40.9 t -60.99 -44.02 97.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.844 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -63.73 -44.79 92.52 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.297 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -69.36 -39.2 78.23 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.582 0.706 . . . . 0.0 109.192 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.25 -33.09 19.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.574 -0.704 . . . . 0.0 109.615 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.54 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.2 tpt -74.66 -41.9 59.46 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.96 -30.91 71.24 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.5 m -63.63 -34.91 78.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.917 -0.489 . . . . 0.0 110.325 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.35 5.66 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 63' ' ' ASP . 66.1 t0 -78.76 56.39 1.87 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.41 5.64 0.54 Allowed 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.085 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' A' ' 61' ' ' ASP . 91.4 m-20 -88.58 -31.17 18.75 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.24 11.24 83.72 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 49.2 p-10 -84.52 4.84 30.03 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.42 36.57 92.72 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.8 mt-10 -145.37 153.75 41.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.272 -1.134 . . . . 0.0 110.449 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 122.29 23.9 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -80.02 168.85 18.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 5.5 p90 -54.71 -42.27 71.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.947 -1.096 . . . . 0.0 108.526 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.523 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.4 tt0 -60.73 -40.99 94.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -0.899 . . . . 0.0 109.819 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.59 -40.13 96.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.998 -1.064 . . . . 0.0 109.67 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.79 -40.22 87.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.341 -0.849 . . . . 0.0 109.132 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.4 mmm -60.26 -37.13 79.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.356 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.62 78.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 110.524 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -58.42 -40.5 82.65 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.962 -1.086 . . . . 0.0 108.851 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.1 t -60.65 -43.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.235 -0.915 . . . . 0.0 108.767 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.421 ' O ' ' OG1' ' A' ' 82' ' ' THR . 22.9 t -60.48 -42.35 96.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.568 -0.707 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.95 -45.59 92.99 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.468 -0.77 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.51 -28.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.168 -0.958 . . . . 0.0 109.92 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.0 m -68.38 -39.7 81.67 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.4 m -69.62 -39.76 76.99 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.797 -0.564 . . . . 0.0 109.691 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.19 96.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.99 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.3 -40.92 98.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.356 -0.84 . . . . 0.0 109.946 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -60.02 -40.1 88.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.045 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.93 -21.85 65.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.708 -0.62 . . . . 0.0 110.374 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.1 -40.55 90.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.81 110.28 16.16 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.08 -1.013 . . . . 0.0 109.433 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -99.53 -107.89 0.2 Allowed 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.35 -40.07 95.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.958 -1.089 . . . . 0.0 110.014 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.751 -179.315 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 81.7 tt0 -60.74 -39.75 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.54 -22.98 36.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.554 -0.716 . . . . 0.0 110.364 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.6 tt0 -59.8 -49.68 76.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 110.67 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.5 pttt -69.57 -29.68 67.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.735 -1.228 . . . . 0.0 109.217 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -75.08 -40.38 60.17 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.5 -0.75 . . . . 0.0 110.367 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.29 -45.39 93.51 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.875 -1.14 . . . . 0.0 110.0 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.39 -39.85 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.22 94.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.659 -0.65 . . . . 0.0 109.841 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.33 -41.23 89.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.994 -1.066 . . . . 0.0 108.295 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -43.17 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.165 -0.96 . . . . 0.0 108.794 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.28 -42.34 55.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.362 -0.836 . . . . 0.0 110.049 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t -57.77 -34.73 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.453 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.1 t80 -58.71 -47.96 82.78 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 109.163 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -70.02 -30.75 68.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.193 -0.942 . . . . 0.0 110.979 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 2' ' ' GLU . 76.0 mt-30 -59.88 -45.66 91.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.758 -1.214 . . . . 0.0 112.087 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.406 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 31.3 p90 -104.52 -28.56 11.22 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.895 -1.128 . . . . 0.0 110.887 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 96.7 p -60.1 -38.09 81.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.488 -1.382 . . . . 0.0 108.545 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.89 9.79 10.63 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.44 ' HG2' HH11 ' B' ' 20' ' ' ARG . 34.4 ttt-85 -60.15 -37.09 79.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.244 -1.15 . . . . 0.0 109.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.43 168.67 19.26 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.24 -29.44 15.86 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 26' ' ' LYS . 49.2 t0 -69.94 64.86 0.23 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.726 -1.455 . . . . 0.0 109.933 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -71.58 -33.94 69.49 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.662 0.744 . . . . 0.0 109.816 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -70.79 -34.59 71.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.667 -0.646 . . . . 0.0 110.545 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 90.9 mttt -129.54 156.95 43.34 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.102 -0.999 . . . . 0.0 110.2 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.5 123.75 48.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.571 -0.706 . . . . 0.0 109.127 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' B' ' 31' ' ' GLU . 81.1 tttt -91.08 151.27 21.07 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.2 ptpt -40.97 -39.05 1.08 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.358 -0.839 . . . . 0.0 110.18 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -63.74 -41.03 98.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.132 -0.98 . . . . 0.0 109.212 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.2 mt-10 -67.11 -40.0 86.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.317 -0.864 . . . . 0.0 109.023 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -68.27 -36.18 79.01 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.036 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.96 -39.89 72.45 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.73 -40.03 84.24 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.504 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 2.8 tm? -59.83 -49.12 78.94 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.474 -0.766 . . . . 0.0 109.415 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 41.8 mt -72.54 -42.48 63.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.672 -1.267 . . . . 0.0 110.245 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -73.42 -23.97 60.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.52 -1.363 . . . . 0.0 111.033 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OE2' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -89.97 -34.39 16.03 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.645 -1.284 . . . . 0.0 111.38 -178.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.535 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 39.9 mp0 -108.34 -32.87 7.28 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.792 -1.193 . . . . 0.0 111.115 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.99 19.91 15.37 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.985 -1.072 . . . . 0.0 108.194 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 96.3 p -45.06 -100.86 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.669 -0.645 . . . . 0.0 112.008 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.498 ' N ' ' OG ' ' B' ' 41' ' ' SER . 56.2 t-80 -87.03 -22.59 25.38 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.233 -0.917 . . . . 0.0 111.347 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.54 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 97.1 m-85 -61.11 -30.41 70.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.794 -1.191 . . . . 0.0 108.803 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 2.8 mt -141.26 -155.22 0.57 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.356 -0.84 . . . . 0.0 108.752 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -51.05 138.22 20.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.656 -1.278 . . . . 0.0 110.968 -178.169 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 7.2 pt-20 -100.24 122.12 42.54 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.426 HD11 HG21 ' B' ' 47' ' ' ILE . 37.4 mm -91.66 121.07 41.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-O 122.037 0.922 . . . . 0.0 109.79 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.497 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -134.66 -11.43 2.37 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -122.2 153.17 39.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.616 0.722 . . . . 0.0 110.39 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.54 -23.46 60.99 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.1 pt-20 -59.99 -45.61 92.14 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 22.6 t -62.09 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.8 t -60.78 -44.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.775 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.41 -45.13 92.42 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.764 -1.21 . . . . 0.0 109.389 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' B' ' 59' ' ' THR . 9.0 mtpm? -69.28 -38.97 78.59 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.02 -33.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 121.588 0.709 . . . . 0.0 109.528 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.56 ' N ' ' O ' ' B' ' 53' ' ' VAL . 8.6 tpt -74.74 -42.02 59.05 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.58 -31.38 71.43 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 27.7 m -63.42 -34.82 78.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.912 -0.493 . . . . 0.0 110.502 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.03 5.75 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.568 ' C ' ' H ' ' B' ' 63' ' ' ASP . 66.3 t0 -79.37 56.14 2.06 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.22 6.02 0.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 CA-C-O 121.695 0.759 . . . . 0.0 109.093 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' B' ' 61' ' ' ASP . 91.7 m-20 -88.73 -31.07 18.62 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.86 84.33 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.071 -2.011 . . . . 0.0 108.071 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.4 p-10 -84.37 5.18 28.04 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 60.75 36.92 92.72 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -145.51 153.38 41.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.294 -1.121 . . . . 0.0 110.481 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.91 122.57 24.53 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -80.19 168.38 19.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.163 -0.961 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 5.6 p90 -54.66 -41.75 70.51 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.005 -1.059 . . . . 0.0 108.527 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 60.7 tt0 -61.39 -40.8 95.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.175 -0.953 . . . . 0.0 109.642 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.78 -39.92 95.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 5.0 t80 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.923 . . . . 0.0 109.035 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.19 -37.27 79.71 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.359 -0.838 . . . . 0.0 109.267 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.96 77.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 110.639 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.0 -40.42 84.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.003 -1.061 . . . . 0.0 108.925 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.3 t -60.67 -43.92 95.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.427 ' O ' ' OG1' ' B' ' 82' ' ' THR . 25.4 t -60.45 -42.69 96.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.585 -0.697 . . . . 0.0 109.848 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.79 -45.47 93.71 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 110.505 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.56 -28.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 109.83 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.0 m -68.17 -39.93 82.41 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 78' ' ' SER . 20.3 m -69.27 -40.07 78.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.803 -0.561 . . . . 0.0 109.614 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.6 97.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.268 -0.895 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.46 -40.72 97.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.815 . . . . 0.0 109.944 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.02 -40.08 88.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.017 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.56 -21.43 65.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.663 -0.648 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.73 -40.35 87.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.949 . . . . 0.0 110.34 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -81.12 109.9 16.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.17 -0.956 . . . . 0.0 109.406 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -98.93 -107.95 0.19 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.49 -40.52 96.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.044 -1.035 . . . . 0.0 109.889 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.87 -179.437 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.555 ' H3 ' ' HG1' ' X' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' X' ' 1' ' ' THR . 32.2 ptt180 -77.76 4.46 11.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 108.263 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.555 ' HG1' ' H3 ' ' X' ' 1' ' ' THR . 6.5 m -54.04 -31.08 50.3 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.87 148.03 40.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.378 -0.826 . . . . 0.0 109.644 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.0 OUTLIER -54.82 158.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.164 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.15 87.42 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 121.715 0.769 . . . . 0.0 109.945 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -74.89 -24.54 58.56 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.165 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.89 -46.02 31.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.022 -1.049 . . . . 0.0 109.151 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.61 -41.46 94.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.344 -0.847 . . . . 0.0 109.329 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.22 -47.8 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.204 -0.935 . . . . 0.0 110.467 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.97 -40.22 88.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.008 . . . . 0.0 109.031 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.28 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.568 ' HG1' ' H ' ' Y' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.568 ' H ' ' HG1' ' Y' ' 1' ' ' THR . 33.8 ptt180 -77.52 3.9 12.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.985 -1.072 . . . . 0.0 108.267 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.537 ' HG1' ' H1 ' ' Y' ' 1' ' ' THR . 5.5 m -53.62 -31.03 45.47 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -60.93 147.97 41.36 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.426 -0.796 . . . . 0.0 109.403 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' Y' ' 7' ' ' TRP . 0.0 OUTLIER -54.72 158.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.007 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -59.86 87.48 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.596 0.712 . . . . 0.0 109.953 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -74.96 -24.29 58.43 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -48.33 -45.82 35.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.96 -41.02 95.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.35 -0.844 . . . . 0.0 109.471 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.35 -47.9 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.296 -0.878 . . . . 0.0 110.184 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.06 -39.52 86.31 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.123 -0.985 . . . . 0.0 109.417 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.299 -1.589 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.233 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.454 0.645 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.98 -35.66 74.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.0 108.894 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.9 -26.42 65.09 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.325 -0.86 . . . . 0.0 110.453 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 87.2 mt-10 -60.06 -49.08 79.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.041 -1.037 . . . . 0.0 110.434 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.98 -37.59 75.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.915 -1.116 . . . . 0.0 109.601 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.35 92.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.299 -0.876 . . . . 0.0 109.913 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.6 mtp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.835 -1.166 . . . . 0.0 109.261 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.0 -40.31 82.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.16 87.66 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.991 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.94 -40.0 96.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.08 -1.012 . . . . 0.0 109.925 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.26 -42.18 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.647 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.51 -39.37 77.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.0 110.167 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.44 -35.76 55.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.082 -1.011 . . . . 0.0 108.352 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE2' ' NE2' ' B' ' 85' ' ' HIS . 85.2 t80 -59.83 -49.97 75.61 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.684 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -64.92 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.635 -0.666 . . . . 0.0 111.21 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -59.95 -46.72 88.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 111.547 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.599 ' HH ' ' ND2' ' A' ' 38' ' ' ASN . 98.9 m-85 -95.13 -26.07 16.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.77 -1.206 . . . . 0.0 111.215 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -65.19 -38.36 90.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.735 -1.228 . . . . 0.0 110.051 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.51 6.72 10.51 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 17' ' ' TYR . 18.6 mmt180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.054 -1.263 . . . . 0.0 109.894 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -136.02 160.92 37.14 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.419 -0.801 . . . . 0.0 109.777 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . -48.49 -26.06 4.91 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.4 m-20 -70.37 46.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 22' ' ' GLY . 37.0 ttpt -60.23 -29.66 68.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -0.913 . . . . 0.0 110.345 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.02 -35.77 74.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.062 -1.024 . . . . 0.0 110.57 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 67.4 mmtt -125.77 147.73 49.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 0.0 109.628 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -97.59 128.75 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -100.56 154.58 18.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.359 -0.838 . . . . 0.0 108.979 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -45.07 -35.02 2.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.165 -0.96 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -64.64 -43.86 92.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.9 -1.125 . . . . 0.0 109.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -68.8 -39.98 79.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 108.926 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.5 -39.85 92.44 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.635 0.731 . . . . 0.0 109.037 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.0 -42.62 94.65 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.13 -39.21 86.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.915 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.94 -50.35 74.1 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.792 -0.567 . . . . 0.0 110.81 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -77.71 -42.06 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.094 -1.004 . . . . 0.0 111.544 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 40.2 p30 -70.05 -22.59 63.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.288 -1.507 . . . . 0.0 110.746 -178.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.599 ' ND2' ' HH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -87.43 -34.45 18.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.968 -1.082 . . . . 0.0 112.308 -178.388 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.07 -29.67 8.84 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.597 -1.315 . . . . 0.0 111.628 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -97.81 13.71 29.56 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.862 -1.149 . . . . 0.0 108.624 -179.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' LEU . 36.7 p -44.59 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.275 -0.891 . . . . 0.0 111.162 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.41 -22.03 26.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -0.93 . . . . 0.0 110.372 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' ' OE2' ' B' ' 4' ' ' GLU . 79.5 m-85 -61.33 -39.01 88.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.948 . . . . 0.0 109.445 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.509 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 1.5 tp -141.6 -142.81 0.14 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' LEU . 49.3 tp10 -60.0 133.35 56.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.756 -1.215 . . . . 0.0 109.644 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -98.55 119.3 37.03 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.76 118.84 46.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -128.51 -11.02 5.08 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -122.43 162.0 22.46 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.662 0.744 . . . . 0.0 110.246 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.09 -16.59 57.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.98 -45.39 89.23 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.07 -43.2 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' MET . 42.0 t -59.99 -46.68 93.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.41 -47.65 84.8 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -68.45 -35.89 78.23 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.9 -32.7 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.473 -0.767 . . . . 0.0 109.337 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.7 mmm -70.56 -41.82 71.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 108.92 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.06 -30.54 70.39 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.0 m -70.03 -39.73 75.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.908 -0.495 . . . . 0.0 110.749 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.44 -53.21 2.84 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.028 -1.045 . . . . 0.0 108.222 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.5 t0 -77.12 58.16 1.51 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.68 5.07 0.9 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.9 m-20 -77.56 -29.51 52.18 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 178.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.6 86.05 Favored Glycine 0 N--CA 1.485 1.913 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p-10 -88.45 1.89 53.88 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.88 36.23 92.49 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.19 149.57 36.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -1.03 . . . . 0.0 109.866 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -133.24 139.48 46.97 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 13.3 p30 -103.8 172.76 6.63 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.093 -1.005 . . . . 0.0 109.952 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.9 p90 -49.12 -45.62 43.83 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 109.482 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.6 tm0? -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.069 -1.02 . . . . 0.0 109.479 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 39.8 mt-10 -69.31 -40.09 77.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.092 -1.005 . . . . 0.0 109.828 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.47 -40.01 92.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.064 -1.022 . . . . 0.0 108.863 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.8 -30.38 69.79 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.852 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.7 68.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.128 -0.983 . . . . 0.0 109.741 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.02 -39.99 87.73 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.086 -1.009 . . . . 0.0 108.65 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.438 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -63.01 -46.49 96.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.298 -0.876 . . . . 0.0 108.853 179.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.06 -41.99 93.53 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.547 0.689 . . . . 0.0 109.15 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.39 -45.92 88.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.701 . . . . 0.0 110.316 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 t -79.47 -28.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.191 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 95.8 m -60.77 -39.96 90.71 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.976 -1.077 . . . . 0.0 108.533 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -65.34 -42.38 92.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.558 -0.714 . . . . 0.0 109.221 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.23 79.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.023 . . . . 0.0 108.985 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -63.73 -41.08 98.11 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.53 ' NE2' ' CE2' ' B' ' 14' ' ' PHE . 43.8 t-80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.625 -0.672 . . . . 0.0 109.721 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.186 -0.946 . . . . 0.0 108.92 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.37 93.81 0.07 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -124.98 134.9 52.42 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.722 0.772 . . . . 0.0 109.094 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -144.83 -151.56 0.38 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -61.62 -39.97 93.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.108 -0.995 . . . . 0.0 109.741 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.744 -179.407 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.412 ' HG ' ' CD ' ' B' ' 4' ' ' GLU . 12.8 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.321 0.581 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.95 -35.98 74.91 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.354 -0.841 . . . . 0.0 108.916 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.68 -26.51 65.34 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.42 -0.8 . . . . 0.0 110.481 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE2' ' CD2' ' A' ' 43' ' ' PHE . 86.9 mt-10 -60.03 -49.09 79.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.021 -1.049 . . . . 0.0 110.438 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -70.01 -37.5 75.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.907 -1.121 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.44 92.05 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.918 . . . . 0.0 109.916 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 66.4 mtp -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.9 -1.125 . . . . 0.0 109.22 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -59.92 -40.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.0 -45.5 85.32 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.881 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.62 -40.05 95.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.094 -1.003 . . . . 0.0 109.942 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.19 -42.27 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.107 -0.996 . . . . 0.0 109.723 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -69.37 -39.44 78.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.195 -0.94 . . . . 0.0 110.119 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.25 -35.96 55.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 85' ' ' HIS . 86.2 t80 -59.59 -50.03 75.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.466 -0.893 . . . . 0.0 108.653 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.663 -0.648 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.02 -46.49 89.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.973 -1.079 . . . . 0.0 111.485 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' B' ' 20' ' ' ARG . 98.9 m-85 -95.25 -26.19 16.05 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.81 -1.181 . . . . 0.0 111.1 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -65.05 -38.6 91.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.803 -1.186 . . . . 0.0 110.112 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.36 6.74 10.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 17' ' ' TYR . 18.7 mmt180 -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.072 -1.252 . . . . 0.0 109.897 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -135.93 161.0 36.85 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.379 -0.826 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . -48.43 -26.22 4.93 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 97.4 m-20 -70.34 46.56 0.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -1.184 . . . . 0.0 109.514 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' B' ' 22' ' ' GLY . 36.4 ttpt -60.16 -29.55 68.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 110.292 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.0 -36.11 74.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.072 -1.018 . . . . 0.0 110.625 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 67.8 mmtt -125.51 147.78 49.12 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.265 -0.897 . . . . 0.0 109.659 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -97.54 128.76 44.54 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 29' ' ' LYS . 37.0 ttpt -100.45 154.49 18.49 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.264 -0.898 . . . . 0.0 108.95 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.7 ptpt -44.98 -35.16 2.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.256 -0.903 . . . . 0.0 109.917 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.618 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 90.8 p -64.6 -43.91 92.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.857 -1.152 . . . . 0.0 109.14 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.618 ' N ' ' HG ' ' B' ' 30' ' ' SER . 71.5 mt-10 -68.71 -39.95 80.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 108.896 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.53 -39.83 92.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.652 0.739 . . . . 0.0 109.018 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.96 -42.41 94.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.026 -1.046 . . . . 0.0 109.439 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -67.45 -38.95 85.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.0 108.967 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.799 -0.563 . . . . 0.0 110.733 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -77.58 -42.21 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.194 -0.941 . . . . 0.0 111.537 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 39.6 p30 -70.02 -22.53 63.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.307 -1.496 . . . . 0.0 110.716 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.38 -34.55 18.74 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.903 -1.123 . . . . 0.0 112.27 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -107.83 -29.99 8.77 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.66 -1.275 . . . . 0.0 111.633 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -97.79 13.59 29.93 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.864 -1.148 . . . . 0.0 108.691 -179.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 44.3 p -44.43 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 111.15 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.38 -22.22 26.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.213 -0.93 . . . . 0.0 110.376 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 79.4 m-85 -60.92 -39.19 88.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 0.0 109.552 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.52 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 1.5 tp -141.56 -142.62 0.14 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' B' ' 40' ' ' LEU . 49.5 tp10 -60.12 133.71 56.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.741 -1.225 . . . . 0.0 109.528 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -99.01 119.48 37.85 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.84 118.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -128.25 -11.11 5.23 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -122.45 162.03 22.44 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.668 0.747 . . . . 0.0 110.324 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -77.95 -16.78 57.89 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.93 -45.64 88.33 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.563 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.77 -43.26 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 57' ' ' MET . 42.8 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' B' ' 54' ' ' ASP . 44.5 t0 -61.25 -47.68 84.93 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.362 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -68.34 -35.99 78.59 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.66 -32.92 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.437 -0.79 . . . . 0.0 109.375 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.6 mmm -70.47 -41.73 72.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.009 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.0 -30.6 70.38 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -70.0 -39.65 75.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.896 -0.503 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.43 -53.31 2.82 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.022 -1.049 . . . . 0.0 108.225 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.2 t0 -76.9 58.15 1.43 Allowed 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.74 4.91 0.96 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.9 m-20 -77.48 -29.55 52.7 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.44 86.25 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 53.8 p-10 -88.44 2.14 53.34 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.67 36.0 92.02 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -143.96 149.68 37.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -1.032 . . . . 0.0 109.921 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -133.3 139.28 46.8 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 13.9 p30 -103.67 172.82 6.59 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.155 -0.966 . . . . 0.0 109.98 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.8 p90 -49.19 -45.62 44.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.445 -0.784 . . . . 0.0 109.484 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 1.6 tm0? -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 109.417 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 39.9 mt-10 -69.24 -39.98 78.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.039 -1.038 . . . . 0.0 109.982 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.54 -40.0 93.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.045 -1.034 . . . . 0.0 108.863 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.55 -30.8 70.54 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.239 -0.985 . . . . 0.0 108.993 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.14 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.111 -0.993 . . . . 0.0 109.836 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -59.96 -40.21 88.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.11 -0.994 . . . . 0.0 108.527 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.7 OUTLIER -62.85 -46.37 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 108.914 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -59.99 -42.2 93.7 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.583 0.706 . . . . 0.0 109.187 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 46.1 ttp -63.26 -46.44 86.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.549 -0.719 . . . . 0.0 110.337 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.1 -28.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.235 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 77' ' ' VAL . 99.7 m -60.95 -40.04 91.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.533 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -65.34 -42.4 92.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.569 -0.707 . . . . 0.0 109.206 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.22 79.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.071 -1.018 . . . . 0.0 109.053 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.69 -41.1 98.19 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t-80 -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.588 -0.695 . . . . 0.0 109.631 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -39.92 87.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.116 -0.99 . . . . 0.0 108.941 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.47 94.11 0.08 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -125.27 134.72 52.18 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.707 0.765 . . . . 0.0 109.182 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -144.69 -151.63 0.38 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -61.61 -40.01 93.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.0 109.74 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.753 -179.52 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.185 0.517 . . . . 0.0 109.713 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -92.92 6.62 47.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.144 -0.972 . . . . 0.0 109.897 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.23 4.44 45.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.076 -1.015 . . . . 0.0 108.988 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.26 143.12 58.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.3 -150.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.874 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -91.88 62.08 4.25 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 111.389 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.509 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.7 -24.77 64.53 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.635 ' N ' HD21 ' X' ' 8' ' ' ASN . 0.0 OUTLIER -51.51 -35.37 40.18 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.577 -1.327 . . . . 0.0 109.867 -178.695 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.57 -42.5 74.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.957 -1.089 . . . . 0.0 110.699 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.418 HG23 HD13 ' X' ' 10' ' ' ILE . 1.5 pt -79.56 -41.08 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 120.777 -1.202 . . . . 0.0 109.727 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.5 -40.0 93.01 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.096 -1.003 . . . . 0.0 109.21 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.616 179.806 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -92.87 6.72 46.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.128 -0.983 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.39 4.46 46.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.065 -1.022 . . . . 0.0 108.939 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.96 142.71 58.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.527 -0.733 . . . . 0.0 109.701 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.04 -149.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.883 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -92.18 62.11 4.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.311 -0.868 . . . . 0.0 111.29 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.52 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -68.64 -24.64 64.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.105 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.628 ' N ' HD21 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -51.67 -35.67 43.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.584 -1.322 . . . . 0.0 109.952 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.28 -42.58 75.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.937 -1.102 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pt -79.23 -42.46 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.803 -1.185 . . . . 0.0 109.624 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.0 -39.99 87.67 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.058 -1.026 . . . . 0.0 109.513 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.571 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.66 -39.0 90.9 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.874 . . . . 0.0 108.974 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.92 -24.82 64.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 110.835 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -50.1 75.08 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.695 -1.253 . . . . 0.0 110.461 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -38.46 76.11 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.875 -1.141 . . . . 0.0 109.407 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.96 87.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.881 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.96 -40.13 87.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.888 -1.133 . . . . 0.0 108.767 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.33 -40.24 83.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.83 87.33 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.18 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.3 -40.08 92.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.041 -1.037 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -68.55 -42.87 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.148 -0.97 . . . . 0.0 110.016 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.45 -39.99 73.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.873 -1.142 . . . . 0.0 109.4 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -58.59 -34.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.97 -48.93 79.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.839 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.64 ' CE1' ' HE2' ' B' ' 85' ' ' HIS . 93.9 m-70 -78.75 -23.53 45.33 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.135 -0.978 . . . . 0.0 111.211 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.01 -45.46 92.67 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.006 -1.059 . . . . 0.0 111.523 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' OH ' ' CE2' ' A' ' 73' ' ' PHE . 42.7 p90 -105.07 -30.36 9.81 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 120.884 -1.135 . . . . 0.0 111.313 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.917 -1.115 . . . . 0.0 110.554 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.44 58.75 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 HH11 ' HG3' ' A' ' 20' ' ' ARG . 4.9 ptm180 -65.92 -40.04 91.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.611 -1.523 . . . . 0.0 109.462 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.65 165.65 20.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.181 -0.949 . . . . 0.0 109.604 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.34 -157.45 53.47 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -81.29 121.23 25.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.331 -1.099 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -62.78 -29.35 70.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.369 -0.832 . . . . 0.0 109.498 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -72.62 -19.98 61.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.901 . . . . 0.0 110.663 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -129.32 155.51 45.5 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.2 -0.938 . . . . 0.0 109.621 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.02 131.3 56.48 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 0.0 109.826 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLU . 64.8 tttm -98.17 150.94 20.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 108.654 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 12.5 ptpt -40.84 -38.41 0.93 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.398 -0.814 . . . . 0.0 109.927 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -64.94 -42.08 94.95 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' LYS . 89.3 mt-10 -69.94 -40.0 75.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.087 -1.008 . . . . 0.0 109.1 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.07 -39.0 93.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.85 . . . . 0.0 109.47 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.34 -39.98 80.9 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ASN . 54.0 tp10 -63.11 -41.39 99.34 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 2.2 tm? -60.03 -48.48 81.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.811 . . . . 0.0 109.328 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.36 -42.3 81.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.352 -0.842 . . . . 0.0 110.773 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -84.4 -23.33 30.1 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.943 -1.098 . . . . 0.0 111.84 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -88.17 -33.98 17.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.393 -1.442 . . . . 0.0 111.265 -177.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -92.83 -14.9 27.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.271 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -162.4 75.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.772 -1.205 . . . . 0.0 110.417 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' H ' ' HG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -87.15 -70.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.738 -1.226 . . . . 0.0 109.686 179.193 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -87.87 -33.21 18.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.175 -0.953 . . . . 0.0 111.18 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.09 -40.0 88.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.931 -1.106 . . . . 0.0 109.241 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 40' ' ' LEU . 17.9 tp -159.97 141.76 12.91 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' OE2' ' CH2' ' X' ' 7' ' ' TRP . 31.0 mt-10 51.19 92.44 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.554 -0.859 . . . . 0.0 111.269 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -94.52 136.09 35.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -115.05 114.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.57 -14.13 7.83 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -124.43 156.51 37.05 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.581 0.705 . . . . 0.0 110.324 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.502 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -79.99 -13.91 58.98 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.08 -40.53 94.79 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.3 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -45.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' A' ' 57' ' ' MET . 9.3 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.054 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 52.2 m-20 -61.9 -43.85 97.99 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.227 -1.389 . . . . 0.0 110.075 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.83 -1.148 . . . . 0.0 109.121 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.6 -38.43 67.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 122.038 0.923 . . . . 0.0 108.564 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.563 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.3 tpt -70.56 -40.79 73.15 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.29 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -64.18 -39.79 94.75 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.457 0.646 . . . . 0.0 109.657 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -97.88 -47.73 5.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 0.0 109.256 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.2 t0 -74.72 51.2 0.47 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -66.53 -0.06 2.55 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.1 m-20 -77.34 -34.15 55.3 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.62 83.42 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.942 -2.463 . . . . 0.0 106.942 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.1 p-10 -85.09 1.69 46.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.03 30.61 74.14 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -145.89 159.69 42.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -1.102 . . . . 0.0 110.453 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.98 122.25 25.24 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.21 168.15 19.44 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.493 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -56.08 -40.03 73.0 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 108.73 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.13 -40.43 95.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.066 -1.021 . . . . 0.0 109.396 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.99 -40.91 75.04 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.01 -1.056 . . . . 0.0 109.319 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE2' ' OH ' ' A' ' 17' ' ' TYR . 2.6 t80 -63.93 -37.33 87.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.98 -33.38 71.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -27.84 66.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.241 -0.912 . . . . 0.0 110.03 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -42.66 94.64 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.756 -1.215 . . . . 0.0 108.522 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -45.1 97.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -61.58 -40.45 94.8 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.041 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.7 ttp -66.37 -45.32 80.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.124 -0.985 . . . . 0.0 109.424 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.47 -36.67 67.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.662 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -62.38 -40.0 95.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.229 -0.919 . . . . 0.0 109.257 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -40.02 71.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.76 74.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.0 110.392 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 88.6 m -61.9 -48.55 79.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 108.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.632 ' HE2' ' CE1' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.75 -39.91 90.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.678 0.751 . . . . 0.0 109.153 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.79 -39.69 85.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.64 -0.662 . . . . 0.0 109.867 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.32 104.89 0.29 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.058 -1.026 . . . . 0.0 109.832 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 89' ' ' GLU . 68.0 t80 -116.29 139.92 49.87 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.723 0.773 . . . . 0.0 108.99 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 86.1 tt0 -82.38 109.6 16.78 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.374 179.686 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.74 -39.18 90.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 108.967 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.03 -24.72 64.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.01 -50.07 75.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.607 -1.308 . . . . 0.0 110.56 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.05 75.68 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.828 -1.17 . . . . 0.0 109.391 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 110.009 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.0 tpp -59.98 -40.28 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.952 -1.092 . . . . 0.0 108.744 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.29 -40.04 82.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.53 86.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.56 -40.08 93.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.68 -42.63 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.116 -0.99 . . . . 0.0 110.006 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.55 -39.87 73.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.905 -1.122 . . . . 0.0 109.38 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.77 -34.59 52.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.61 -49.08 79.13 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.297 -0.877 . . . . 0.0 109.826 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.632 ' CE1' ' HE2' ' A' ' 85' ' ' HIS . 94.8 m-70 -78.74 -23.47 45.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.085 -1.009 . . . . 0.0 111.318 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -45.48 92.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.0 -1.062 . . . . 0.0 111.546 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.415 ' OH ' ' CE2' ' B' ' 73' ' ' PHE . 43.0 p90 -104.93 -30.25 9.95 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 120.87 -1.143 . . . . 0.0 111.345 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.901 -1.124 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.38 11.98 59.76 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.406 HH11 ' HG3' ' B' ' 20' ' ' ARG . 4.8 ptm180 -65.51 -40.17 92.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.708 -1.466 . . . . 0.0 109.537 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.77 165.63 20.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.181 -0.949 . . . . 0.0 109.462 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.55 -157.21 53.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 26' ' ' LYS . 56.4 t0 -81.6 121.04 25.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.388 -1.066 . . . . 0.0 109.572 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.81 -29.21 70.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.819 . . . . 0.0 109.467 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -72.63 -20.01 61.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.336 -0.852 . . . . 0.0 110.631 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 23' ' ' ASP . 63.3 mttp -129.4 156.02 44.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.22 -0.925 . . . . 0.0 109.736 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -118.43 131.17 56.28 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.609 -0.682 . . . . 0.0 109.874 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' B' ' 29' ' ' LYS . 63.8 tttm -97.85 151.07 20.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 108.674 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ptpt -40.96 -38.53 0.99 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.396 -0.815 . . . . 0.0 109.878 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.8 p -64.77 -42.14 95.34 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.198 -0.939 . . . . 0.0 109.839 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 28' ' ' LYS . 89.3 mt-10 -69.92 -39.94 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.038 -1.039 . . . . 0.0 109.083 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.48 -38.24 90.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.32 -0.862 . . . . 0.0 109.481 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.74 -40.01 82.59 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 38' ' ' ASN . 54.0 tp10 -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' B' ' 35' ' ' LEU . 2.2 tm? -59.94 -48.86 79.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.447 -0.783 . . . . 0.0 109.174 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.0 110.856 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -84.32 -23.21 30.35 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.964 -1.085 . . . . 0.0 111.943 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -88.1 -34.01 18.06 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.376 -1.453 . . . . 0.0 111.176 -177.727 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -92.86 -14.96 27.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.706 -1.246 . . . . 0.0 110.295 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.7 OUTLIER -162.12 75.24 0.45 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.728 -1.233 . . . . 0.0 110.474 179.66 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.9 -70.31 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.779 -1.201 . . . . 0.0 109.739 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -88.02 -33.09 18.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.956 . . . . 0.0 111.21 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -60.01 -40.01 87.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.972 -1.08 . . . . 0.0 109.199 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.3 tp -160.12 141.9 12.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' OE2' ' CH2' ' Y' ' 7' ' ' TRP . 30.7 mt-10 51.08 92.26 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.315 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.33 136.51 34.54 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.471 ' CD1' ' HE1' ' Y' ' 7' ' ' TRP . 3.0 mm -115.39 114.89 47.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -14.2 7.8 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -124.57 156.49 37.3 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.564 0.697 . . . . 0.0 110.289 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -79.98 -13.99 58.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.06 -40.78 95.22 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 118.825 -1.15 . . . . 0.0 110.198 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.58 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.6 t -59.99 -49.3 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.083 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 52.9 m-20 -61.97 -43.83 98.03 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.099 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.436 ' O ' ' OG1' ' B' ' 59' ' ' THR . 58.5 tttm -69.93 -40.01 75.79 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.78 -1.168 . . . . 0.0 109.136 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.38 -38.51 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.9 tpt -70.6 -40.75 73.01 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.17 -32.17 73.64 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.742 -1.206 . . . . 0.0 107.742 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 32.3 m -63.93 -39.9 95.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.671 -0.643 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' B' ' 62' ' ' GLU . 9.8 mp -97.78 -47.64 5.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.424 -0.798 . . . . 0.0 109.265 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -74.83 51.37 0.49 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' B' ' 60' ' ' LEU . 77.3 tt0 -66.51 -0.56 2.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -77.03 -33.99 57.33 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 10.83 83.48 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.089 -2.404 . . . . 0.0 107.089 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.9 p-10 -85.11 1.67 46.82 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.92 30.9 74.55 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.1 mt-10 -146.12 159.48 43.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.46 -1.024 . . . . 0.0 110.504 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.83 122.07 25.14 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -80.47 167.7 19.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.233 -0.917 . . . . 0.0 109.333 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 3.5 p90 -55.37 -40.34 71.19 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.001 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.28 -40.14 95.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.891 -1.131 . . . . 0.0 109.428 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.92 -41.01 75.19 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.415 ' CE2' ' OH ' ' B' ' 17' ' ' TYR . 2.6 t80 -64.09 -37.31 86.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.81 -33.73 72.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -27.93 66.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.139 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.09 -42.69 95.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.188 . . . . 0.0 108.476 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -44.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.8 m -62.03 -40.4 95.6 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.986 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.2 ttp -66.19 -45.4 80.96 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.46 -36.59 67.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.689 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -62.53 -40.03 95.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.101 -0.999 . . . . 0.0 109.212 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.7 p -71.05 -39.99 71.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.52 -0.737 . . . . 0.0 110.33 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.91 -43.77 74.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.354 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.84 -48.83 78.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.64 ' HE2' ' CE1' ' A' ' 15' ' ' HIS . 54.4 t-80 -60.48 -40.0 89.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.656 0.741 . . . . 0.0 109.206 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.88 -39.62 85.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.621 -0.675 . . . . 0.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.09 104.81 0.27 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.004 -1.06 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' O ' ' B' ' 89' ' ' GLU . 67.0 t80 -116.38 139.88 49.94 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.901 0.857 . . . . 0.0 108.931 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.486 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 86.1 tt0 -82.47 109.87 17.08 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.399 179.645 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' X' ' 4' ' ' LYS . 98.3 mtt180 -62.69 -40.65 97.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.256 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m 68.49 -6.52 0.8 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.653 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' X' ' 2' ' ' ARG . 0.2 OUTLIER -161.54 179.97 7.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -0.932 . . . . 0.0 109.291 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' X' ' 4' ' ' LYS . 1.0 OUTLIER -61.1 -139.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' X' ' 8' ' ' ASN . 44.0 t0 -141.25 135.69 30.92 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.759 -1.213 . . . . 0.0 109.733 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.538 ' CH2' ' OE2' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.474 -0.766 . . . . 0.0 110.277 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.622 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.4 OUTLIER -55.3 -36.02 65.72 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.443 -1.41 . . . . 0.0 110.21 -178.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.622 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 63.8 tttp -60.03 -45.79 91.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.057 -1.027 . . . . 0.0 110.223 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.96 -40.01 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.217 -0.927 . . . . 0.0 111.131 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.98 -1.075 . . . . 0.0 109.204 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.276 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' Y' ' 4' ' ' LYS . 99.1 mtt180 -63.19 -39.95 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.183 -0.948 . . . . 0.0 109.23 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m 68.2 -6.84 0.71 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.553 -0.717 . . . . 0.0 109.781 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' Y' ' 2' ' ' ARG . 0.2 OUTLIER -161.4 -179.99 7.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.199 179.489 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 1.0 OUTLIER -61.27 -139.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.313 -0.867 . . . . 0.0 108.841 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.436 ' OD2' ' OD1' ' Y' ' 8' ' ' ASN . 43.3 t0 -140.98 135.85 31.57 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.872 -1.143 . . . . 0.0 109.798 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.538 ' CH2' ' OE2' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.504 -0.747 . . . . 0.0 110.295 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.62 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.4 OUTLIER -55.36 -35.97 65.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.419 -1.425 . . . . 0.0 110.221 -178.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.62 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -60.11 -45.69 92.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.068 -1.02 . . . . 0.0 110.192 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -70.04 -40.1 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 111.027 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.86 -39.96 86.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.821 -1.175 . . . . 0.0 109.433 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.437 -179.796 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -67.75 -39.96 84.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.428 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.01 -30.45 69.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.824 -1.173 . . . . 0.0 109.871 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 97.3 mt-10 -59.91 -48.94 79.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.009 -1.057 . . . . 0.0 110.468 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.92 68.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.794 -1.191 . . . . 0.0 108.975 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.02 90.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -0.865 . . . . 0.0 109.357 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.06 -40.84 90.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.132 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.98 -40.07 81.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-O 121.795 0.807 . . . . 0.0 108.902 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.55 88.76 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.658 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.49 -40.0 92.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.863 -1.148 . . . . 0.0 109.895 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.14 -41.66 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.022 -1.048 . . . . 0.0 110.365 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -64.94 -42.96 94.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.589 -1.319 . . . . 0.0 109.619 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.19 -29.65 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.41 -0.806 . . . . 0.0 108.975 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.15 -48.32 82.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.403 -0.81 . . . . 0.0 109.79 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 27.0 m-70 -77.44 -25.16 50.38 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -0.928 . . . . 0.0 111.441 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.99 -40.33 88.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.716 -1.24 . . . . 0.0 111.812 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 90.4 m-85 -107.74 -31.02 8.23 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.909 -1.119 . . . . 0.0 111.132 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -64.08 -40.0 95.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.907 -1.121 . . . . 0.0 109.987 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 1.63 88.36 Favored Glycine 0 N--CA 1.492 2.417 0 C-N-CA 120.262 -0.971 . . . . 0.0 110.74 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -66.37 -39.87 89.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.745 -1.444 . . . . 0.0 109.178 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' GLY . 99.7 mt-10 -128.38 174.14 9.58 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -57.19 -157.42 0.01 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 93.9 m-20 51.05 46.96 25.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.763 -1.434 . . . . 0.0 108.628 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -61.07 -32.94 72.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.4 -34.96 73.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 110.821 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 96.1 mttt -128.21 153.8 46.53 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.121 -0.987 . . . . 0.0 110.479 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.21 117.79 32.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.126 -0.984 . . . . 0.0 109.131 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.9 ttmm -82.38 155.28 24.8 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 29' ' ' LYS . 8.3 mtmp? -42.77 -39.48 2.48 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.215 -0.928 . . . . 0.0 110.012 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -60.09 -43.45 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.915 . . . . 0.0 110.576 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.05 -40.05 75.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.733 -1.229 . . . . 0.0 108.725 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -39.68 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.53 -42.3 91.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.265 -0.897 . . . . 0.0 109.026 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -67.99 -39.8 83.2 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -50.96 71.94 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.631 -0.668 . . . . 0.0 109.911 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.02 -42.32 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.001 -1.062 . . . . 0.0 110.018 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -70.68 -26.11 63.29 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.379 -1.451 . . . . 0.0 110.958 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.533 ' C ' HD21 ' A' ' 38' ' ' ASN . 0.2 OUTLIER -87.85 -34.09 18.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.805 -1.185 . . . . 0.0 112.003 -177.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' B' ' 4' ' ' GLU . 97.2 mt-10 -106.94 -32.85 7.71 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.859 -1.15 . . . . 0.0 111.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -99.99 19.38 16.35 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 96.7 p -44.08 -97.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 111.355 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' N ' ' OG ' ' A' ' 41' ' ' SER . 79.0 t60 -84.95 -21.87 29.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.918 . . . . 0.0 110.06 -178.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.89 -37.56 79.74 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.15 -0.968 . . . . 0.0 108.608 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mt -142.05 -158.42 0.86 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.206 -0.934 . . . . 0.0 109.28 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.66 135.17 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.134 -0.979 . . . . 0.0 110.613 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 53.1 tp10 -98.81 122.74 42.44 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.7 mm -91.05 110.01 21.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-O 121.822 0.82 . . . . 0.0 110.532 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -119.81 -12.05 9.27 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.61 145.16 48.61 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.592 0.71 . . . . 0.0 110.675 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -69.96 -22.11 63.19 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.3 pt-20 -59.97 -43.01 95.37 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.954 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.424 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 43.8 t -60.01 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.69 -41.17 89.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.501 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.99 -41.31 74.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.654 -1.219 . . . . 0.0 109.075 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -69.96 -38.33 76.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.57 -31.5 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -70.07 -42.43 72.82 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 86.1 tt0 -60.03 -34.08 72.89 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -70.15 -39.88 75.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.788 -0.57 . . . . 0.0 111.019 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.94 -52.85 2.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.6 t0 -80.72 59.7 3.74 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 45.1 mm-40 -66.05 4.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.636 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.4 m-20 -79.37 -29.84 42.29 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 105.893 -1.891 . . . . 0.0 105.893 177.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.4 11.92 81.3 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -88.11 0.01 56.53 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.93 30.13 72.38 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 108.149 -1.98 . . . . 0.0 108.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.8 mt-10 -143.43 157.11 44.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.548 -0.972 . . . . 0.0 110.291 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -130.06 122.1 27.71 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.89 167.74 20.14 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.362 -0.837 . . . . 0.0 109.255 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 28.5 p90 -55.79 -40.07 72.17 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 108.826 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.292 -0.88 . . . . 0.0 109.183 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -69.72 -38.36 76.85 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 110.414 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.24 -41.02 87.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.869 -1.144 . . . . 0.0 109.377 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.0 tpp -64.17 -31.62 72.88 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.968 -1.082 . . . . 0.0 108.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.44 -30.53 70.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.123 -0.986 . . . . 0.0 109.985 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.82 -40.08 87.21 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 108.856 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.2 t -61.63 -40.91 88.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.237 -0.915 . . . . 0.0 108.54 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -60.49 -46.46 90.03 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.477 0.656 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 ttp -65.46 -42.24 92.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.827 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 t -80.0 -29.05 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.757 -1.214 . . . . 0.0 108.901 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 29.3 m -60.64 -40.04 90.52 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.095 -1.003 . . . . 0.0 108.921 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 p -71.16 -42.38 69.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.542 -0.723 . . . . 0.0 110.947 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.99 75.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.918 -1.114 . . . . 0.0 110.284 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.06 -42.8 99.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' NE2' ' B' ' 15' ' ' HIS . 8.5 t60 -69.94 -39.86 75.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.79 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -74.19 -5.49 42.18 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.432 -0.793 . . . . 0.0 110.527 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.98 -41.34 91.81 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.651 -1.28 . . . . 0.0 110.892 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.2 p90 -98.9 -165.29 1.22 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.738 -1.226 . . . . 0.0 108.425 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 52.56 43.4 31.17 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.924 0.868 . . . . 0.0 109.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -60.05 -40.05 88.09 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.077 179.503 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.507 ' OE2' ' NZ ' ' B' ' 5' ' ' LYS . 36.4 tp10 -67.76 -40.1 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.316 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.91 -30.55 69.11 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.826 -1.172 . . . . 0.0 109.918 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 97.1 mt-10 -59.95 -48.81 80.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.981 -1.075 . . . . 0.0 110.496 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.507 ' NZ ' ' OE2' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -70.05 -31.08 68.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.743 -1.223 . . . . 0.0 108.908 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.96 90.81 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.368 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.3 tpp -59.97 -40.89 90.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.23 -39.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.775 0.798 . . . . 0.0 108.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.08 87.06 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.691 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.75 -40.07 91.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.899 -1.126 . . . . 0.0 109.882 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.11 -41.5 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -65.07 -42.45 94.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.585 -1.322 . . . . 0.0 109.801 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.63 -29.84 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 108.928 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -58.75 -48.52 80.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.422 -0.799 . . . . 0.0 109.834 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.408 ' NE2' ' CE1' ' A' ' 85' ' ' HIS . 24.6 m-70 -77.39 -25.22 50.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.207 -0.933 . . . . 0.0 111.441 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.01 -40.49 89.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.662 -1.274 . . . . 0.0 111.785 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -107.64 -30.72 8.43 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.856 -1.152 . . . . 0.0 111.041 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -64.16 -40.07 95.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.817 -1.177 . . . . 0.0 110.053 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.25 1.52 88.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -66.32 -39.94 89.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.759 -1.436 . . . . 0.0 109.197 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 22' ' ' GLY . 99.6 mt-10 -128.36 173.95 9.74 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.505 -0.747 . . . . 0.0 108.989 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -57.06 -157.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' B' ' 26' ' ' LYS . 93.8 m-20 51.12 46.81 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.76 -1.435 . . . . 0.0 108.576 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.04 -32.94 72.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.868 . . . . 0.0 110.338 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.32 -35.0 73.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 110.752 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' B' ' 23' ' ' ASP . 93.8 mttt -128.43 153.88 46.64 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.151 -0.968 . . . . 0.0 110.487 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.16 117.98 32.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.165 -0.959 . . . . 0.0 109.108 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' B' ' 29' ' ' LYS . 18.9 ttmm -82.5 155.49 24.54 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.462 ' CB ' ' NZ ' ' B' ' 29' ' ' LYS . 8.2 mtmp? -42.86 -39.64 2.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.25 -0.906 . . . . 0.0 109.962 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.07 -43.29 95.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.06 -40.08 75.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.75 -1.219 . . . . 0.0 108.673 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -39.88 91.45 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.39 -42.42 91.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.915 . . . . 0.0 108.894 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.82 -39.98 83.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.09 -51.13 71.38 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.607 -0.683 . . . . 0.0 109.952 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.02 -42.42 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.94 -1.1 . . . . 0.0 109.97 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.62 -26.02 63.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.374 -1.454 . . . . 0.0 110.885 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.547 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -87.84 -34.37 18.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.873 -1.142 . . . . 0.0 111.966 -177.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 4' ' ' GLU . 97.1 mt-10 -107.07 -32.54 7.8 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.758 -1.214 . . . . 0.0 111.179 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -100.06 19.2 16.75 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.955 -1.091 . . . . 0.0 108.098 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.1 p -44.06 -97.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.466 -0.771 . . . . 0.0 111.46 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.515 ' N ' ' OG ' ' B' ' 41' ' ' SER . 78.4 t60 -85.18 -21.75 29.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.216 -0.928 . . . . 0.0 110.037 -178.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 108.508 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -141.85 -158.74 0.89 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.186 -0.946 . . . . 0.0 109.246 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.49 135.07 2.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.97 . . . . 0.0 110.657 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.491 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . 53.4 tp10 -98.77 122.87 42.56 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 177.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.3 mm -91.06 109.87 21.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-O 121.898 0.856 . . . . 0.0 110.503 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -119.68 -12.22 9.29 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -122.54 145.37 48.39 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.668 0.747 . . . . 0.0 110.657 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.02 -22.07 63.14 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.5 pt-20 -60.17 -42.79 95.72 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.847 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 49.4 t -60.11 -47.6 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.15 -40.81 88.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.454 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.01 -41.28 74.55 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.564 -1.254 . . . . 0.0 109.068 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.11 -38.26 75.57 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -70.79 -31.38 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.0 OUTLIER -70.03 -42.33 73.1 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.2 tt0 -60.11 -34.04 72.94 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.15 -39.78 75.15 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.234 0.54 . . . . 0.0 111.076 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.05 -52.97 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 109.177 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 24.5 t0 -80.72 59.96 3.84 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 44.6 mm-40 -66.29 4.34 0.74 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.509 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.5 m-20 -79.25 -30.1 42.98 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.68 11.79 81.13 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -88.06 0.01 56.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.8 30.42 72.58 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 108.222 -1.951 . . . . 0.0 108.222 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.8 mt-10 -143.58 156.98 44.75 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.488 -1.007 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.99 121.78 27.19 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.7 168.04 19.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.402 -0.811 . . . . 0.0 109.19 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 28.5 p90 -56.26 -40.0 73.51 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.245 -0.909 . . . . 0.0 108.804 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.598 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.8 tt0 -62.85 -40.11 96.45 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.315 -0.865 . . . . 0.0 108.925 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -69.95 -38.21 76.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.26 -0.9 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.42 87.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.844 -1.16 . . . . 0.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 55.7 tpp -64.35 -31.96 73.38 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.935 -1.103 . . . . 0.0 108.773 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.42 -30.22 69.92 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.094 -1.004 . . . . 0.0 109.904 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.96 -39.99 87.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 108.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 81' ' ' THR . 1.3 t -61.69 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.209 -0.932 . . . . 0.0 108.599 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -60.66 -46.34 90.69 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.443 0.64 . . . . 0.0 110.034 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.76 -42.0 91.43 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.742 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 t -79.97 -29.39 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.967 -1.083 . . . . 0.0 108.744 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.436 ' N ' ' O ' ' B' ' 77' ' ' VAL . 27.1 m -60.56 -40.0 90.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.069 -1.019 . . . . 0.0 108.978 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -42.34 68.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.511 -0.743 . . . . 0.0 110.973 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.77 76.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 110.334 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -42.81 99.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 15' ' ' HIS . 8.2 t60 -69.84 -39.98 76.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.544 -0.723 . . . . 0.0 109.8 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -74.06 -5.76 43.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.483 -0.761 . . . . 0.0 110.502 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.81 -41.25 90.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.645 -1.284 . . . . 0.0 110.964 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 p90 -98.99 -165.13 1.2 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.688 -1.258 . . . . 0.0 108.399 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 52.51 43.27 31.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.927 0.87 . . . . 0.0 109.066 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -59.84 -40.27 87.95 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.113 179.568 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' X' ' 2' ' ' ARG . 47.0 mtt-85 -97.46 5.6 49.44 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' X' ' 4' ' ' LYS . 26.9 p -59.94 -40.02 87.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.171 -0.955 . . . . 0.0 109.548 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.475 ' N ' ' HG1' ' X' ' 3' ' ' THR . 36.4 ttmt -62.65 140.07 58.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.485 -0.76 . . . . 0.0 109.451 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -73.3 -172.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.134 -0.979 . . . . 0.0 109.587 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -81.61 77.95 8.4 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.594 0.712 . . . . 0.0 111.157 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -24.23 61.86 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.09 -45.71 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.959 -1.088 . . . . 0.0 109.274 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.34 -39.85 88.59 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 109.34 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.1 -40.35 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.99 87.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.229 -0.919 . . . . 0.0 108.949 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.377 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 45.1 mtt-85 -97.24 5.58 49.8 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.423 ' HG1' ' N ' ' Y' ' 4' ' ' LYS . 28.3 p -60.13 -39.84 87.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.139 -0.976 . . . . 0.0 109.572 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.423 ' N ' ' HG1' ' Y' ' 3' ' ' THR . 36.2 ttmt -62.87 140.2 58.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.774 . . . . 0.0 109.4 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -73.02 -172.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 121.202 -0.936 . . . . 0.0 109.574 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -81.89 78.18 8.63 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.618 0.723 . . . . 0.0 111.017 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -24.24 61.75 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.17 -45.43 65.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -39.94 89.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.293 -0.88 . . . . 0.0 109.223 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.97 -40.72 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.258 -0.901 . . . . 0.0 109.776 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.88 -39.71 86.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.277 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.346 179.779 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.362 0.601 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.99 -31.38 70.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.316 -0.865 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.62 -24.74 35.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.078 -1.014 . . . . 0.0 110.987 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 98.8 mt-10 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.767 -1.208 . . . . 0.0 110.912 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 10.6 pttp -68.48 -41.61 79.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.632 -1.292 . . . . 0.0 109.055 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 5' ' ' LYS . . . -70.31 -42.02 72.53 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.918 -0.488 . . . . 0.0 111.238 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.97 -41.64 92.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.738 -1.226 . . . . 0.0 108.332 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.54 -40.04 87.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.02 91.53 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.2 -39.95 88.34 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.037 -1.039 . . . . 0.0 108.678 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 11' ' ' ILE . 96.8 mt -67.17 -40.01 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.36 -0.838 . . . . 0.0 109.11 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -70.08 -40.35 75.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.866 -1.146 . . . . 0.0 109.166 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -39.71 81.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -49.05 -57.83 5.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.505 -0.747 . . . . 0.0 110.073 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.49 -22.75 58.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.209 -0.932 . . . . 0.0 111.33 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -55.64 -40.2 71.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.211 -0.93 . . . . 0.0 111.095 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -119.8 -24.16 6.24 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 121.129 -0.982 . . . . 0.0 110.722 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 59.7 m -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.826 -1.171 . . . . 0.0 110.308 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.99 1.91 37.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 20' ' ' ARG . 38.0 ttt-85 -60.05 -46.81 88.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -1.172 . . . . 0.0 109.622 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -167.13 172.08 10.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.383 -0.823 . . . . 0.0 108.892 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.11 -160.71 27.37 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.912 -1.117 . . . . 0.0 110.676 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 94.7 m-20 -90.27 0.88 57.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.6 -0.941 . . . . 0.0 110.467 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 4.4 tmtt? 80.3 -47.02 0.3 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.656 0.741 . . . . 0.0 109.345 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -72.51 -17.1 61.77 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.478 -0.764 . . . . 0.0 110.242 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -128.57 152.33 48.43 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.375 -0.828 . . . . 0.0 109.728 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.43 120.03 40.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.601 -0.687 . . . . 0.0 109.379 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -85.72 151.06 24.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.224 -0.922 . . . . 0.0 108.612 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.53 -39.96 8.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.459 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -39.95 87.7 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.097 -1.002 . . . . 0.0 109.265 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.037 -1.039 . . . . 0.0 109.101 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.32 -39.77 91.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.378 -0.826 . . . . 0.0 109.015 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -54.72 -40.04 68.82 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 108.631 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.97 -40.01 79.1 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.513 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.71 -50.0 75.52 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.898 . . . . 0.0 109.596 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 36' ' ' ILE . 79.8 mt -68.8 -45.7 80.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.393 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.13 -23.15 59.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.241 -1.537 . . . . 0.0 110.892 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.79 -32.94 20.07 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.616 -1.302 . . . . 0.0 110.611 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.93 -27.89 10.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.667 -1.271 . . . . 0.0 109.628 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' SER . 28.3 mt -116.76 35.6 4.53 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 77.3 p -44.08 -91.99 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.291 -0.88 . . . . 0.0 110.175 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.436 ' N ' ' OG ' ' A' ' 41' ' ' SER . 95.2 m-70 -103.93 3.29 33.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.466 -0.771 . . . . 0.0 109.478 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CZ ' ' OE2' ' B' ' 4' ' ' GLU . 88.4 m-85 -69.13 -40.0 78.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.224 -0.923 . . . . 0.0 109.485 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.559 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 8.6 mp -129.05 -98.79 0.35 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.413 -0.804 . . . . 0.0 109.36 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -91.28 133.07 35.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 109.734 -179.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 86.6 tt0 -92.54 119.67 32.24 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.18 118.48 44.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-O 122.064 0.935 . . . . 0.0 110.256 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.51 -9.79 1.9 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.31 151.99 43.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.701 . . . . 0.0 110.001 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASP . 18.0 pt20 -72.78 -18.83 61.45 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 110.754 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 16.1 t -68.25 -49.15 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.5 t -61.66 -41.47 90.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.265 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' GLN . 91.4 m-20 -70.0 -42.26 73.27 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.062 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -68.52 -39.23 81.29 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.05 -34.2 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 60.2 mmm -72.15 -40.01 68.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 109.199 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.01 -27.26 66.73 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -69.95 -38.89 76.28 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' GLU . 10.2 mp -105.31 -54.79 2.43 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.106 -0.996 . . . . 0.0 108.589 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.5 t0 -70.04 55.58 0.14 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -67.24 2.14 1.77 Allowed 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.0 m-20 -79.78 -31.7 40.86 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.99 10.23 84.23 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.346 -2.302 . . . . 0.0 107.346 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.9 p-10 -83.57 0.27 47.37 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.76 32.56 78.2 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -143.99 155.61 44.09 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.362 -1.081 . . . . 0.0 110.78 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.7 122.52 29.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.11 169.88 12.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.885 -1.134 . . . . 0.0 110.217 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 4.6 m-85 -48.16 -48.56 34.27 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.517 -0.74 . . . . 0.0 109.462 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.97 -40.98 90.95 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.37 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.07 -41.33 90.87 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.695 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.67 -39.37 94.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.719 -1.238 . . . . 0.0 107.687 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.1 mmm -60.05 -38.48 82.93 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.71 71.72 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.954 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.99 -43.34 95.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.033 -1.042 . . . . 0.0 109.36 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.7 OUTLIER -59.98 -41.1 85.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -60.05 -40.43 89.38 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.718 -0.614 . . . . 0.0 109.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 41.3 mtp -66.44 -44.6 82.42 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.699 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 t -80.67 -30.05 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.08 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -65.69 -40.0 91.84 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -69.99 -39.96 75.59 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.8 79.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.427 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.67 -40.0 76.66 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 108.878 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.98 -40.5 89.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.407 -0.808 . . . . 0.0 109.882 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.78 -40.01 90.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 110.002 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.12 107.34 2.27 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.966 -1.084 . . . . 0.0 109.015 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -170.57 146.26 2.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.468 -0.77 . . . . 0.0 108.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -98.78 108.76 21.53 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.304 -0.873 . . . . 0.0 109.372 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -64.23 -39.98 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.654 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.454 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.421 0.629 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -68.69 -31.31 70.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.325 -0.86 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.71 -24.7 36.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.038 -1.039 . . . . 0.0 110.941 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 98.9 mt-10 -59.98 -47.93 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.749 -1.219 . . . . 0.0 110.862 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' B' ' 6' ' ' ALA . 11.3 pttp -68.56 -41.59 79.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.584 -1.322 . . . . 0.0 109.123 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' B' ' 5' ' ' LYS . . . -70.37 -42.02 72.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.891 -0.506 . . . . 0.0 111.158 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.729 -1.232 . . . . 0.0 108.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.72 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.65 93.46 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.843 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.18 -40.02 88.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.961 -1.087 . . . . 0.0 108.672 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.11 -39.97 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.87 . . . . 0.0 109.109 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.853 -1.154 . . . . 0.0 109.161 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.97 -39.51 80.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -49.16 -57.77 6.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.553 -0.717 . . . . 0.0 110.143 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -74.55 -22.77 58.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.182 -0.949 . . . . 0.0 111.441 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -55.4 -40.45 71.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.92 . . . . 0.0 111.128 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -119.65 -24.32 6.26 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.077 -1.014 . . . . 0.0 110.732 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.8 m -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.838 -1.164 . . . . 0.0 110.331 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 1.78 37.14 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -60.01 -46.78 88.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.236 -1.155 . . . . 0.0 109.701 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -167.21 172.04 10.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.397 -0.814 . . . . 0.0 108.889 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.05 -160.6 27.35 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.907 -1.121 . . . . 0.0 110.636 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 94.9 m-20 -90.37 0.99 57.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.63 -0.924 . . . . 0.0 110.525 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 4.2 tmtt? 80.27 -47.13 0.31 Allowed 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.634 0.731 . . . . 0.0 109.325 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -72.45 -17.38 61.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.592 -0.692 . . . . 0.0 110.241 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -128.59 152.66 48.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.346 -0.846 . . . . 0.0 109.8 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -112.24 120.1 40.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.685 -0.635 . . . . 0.0 109.452 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -86.14 150.99 24.03 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.26 -0.9 . . . . 0.0 108.664 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.48 -39.88 7.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.132 -0.98 . . . . 0.0 109.523 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.6 m -60.02 -40.0 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.075 -1.015 . . . . 0.0 109.183 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.06 -39.96 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 109.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.12 -39.94 91.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -54.78 -39.96 68.95 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 108.626 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.95 -40.02 79.17 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.274 -0.97 . . . . 0.0 108.541 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.79 -50.05 75.38 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.28 -0.888 . . . . 0.0 109.57 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -68.78 -45.5 80.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.4 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.0 t-20 -74.33 -23.18 59.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.276 -1.515 . . . . 0.0 110.952 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.568 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.3 OUTLIER -86.77 -32.91 20.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.632 -1.293 . . . . 0.0 110.577 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -105.81 -28.16 10.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.755 -1.216 . . . . 0.0 109.648 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' B' ' 41' ' ' SER . 27.4 mt -116.62 35.82 4.41 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 77.2 p -44.15 -91.81 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.273 -0.892 . . . . 0.0 110.213 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.433 ' N ' ' OG ' ' B' ' 41' ' ' SER . 95.4 m-70 -104.0 3.21 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.432 -0.793 . . . . 0.0 109.435 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.495 ' CZ ' ' OE2' ' A' ' 4' ' ' GLU . 89.3 m-85 -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 109.497 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 8.4 mp -129.01 -98.78 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -91.22 132.91 35.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.56 -0.712 . . . . 0.0 109.772 -179.015 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -92.33 119.66 32.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.26 118.48 44.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 122.046 0.927 . . . . 0.0 110.187 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.38 -9.8 1.94 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.503 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -124.32 152.01 43.61 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.548 -0.72 . . . . 0.0 109.959 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' B' ' 54' ' ' ASP . 18.0 pt20 -72.8 -18.77 61.44 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.726 -0.609 . . . . 0.0 110.68 -177.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' B' ' 51' ' ' GLU . 16.2 t -68.55 -48.81 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.04 -41.42 91.02 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.232 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 91.4 m-20 -70.02 -42.34 73.1 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.979 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -68.37 -39.3 81.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.98 -34.31 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.3 mmm -71.99 -40.08 68.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.0 109.211 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -27.25 66.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.47 -1.394 . . . . 0.0 107.253 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 m -70.04 -38.77 75.93 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.965 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 62' ' ' GLU . 10.1 mp -105.43 -54.84 2.42 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.164 -0.96 . . . . 0.0 108.593 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.9 t0 -70.06 55.69 0.14 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.0 mt-10 -67.46 2.46 1.74 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.7 m-20 -79.85 -31.7 40.5 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.8 10.25 84.41 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.1 p-10 -83.5 0.26 47.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.72 32.6 78.45 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.6 mt-10 -143.94 155.6 44.11 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.329 -1.101 . . . . 0.0 110.77 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -129.52 122.42 29.2 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.15 169.31 12.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.85 -1.156 . . . . 0.0 110.26 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 4.6 m-85 -47.57 -48.7 27.85 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.571 -0.705 . . . . 0.0 109.518 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -60.01 -40.72 90.22 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.373 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.37 -41.31 89.61 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.576 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.6 t80 -63.52 -39.43 94.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.721 -1.237 . . . . 0.0 107.755 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.5 mmm -60.07 -38.64 83.45 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.86 71.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.0 -1.063 . . . . 0.0 110.006 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.06 -43.03 95.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.357 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.7 OUTLIER -60.0 -41.48 86.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.9 t -60.13 -40.2 88.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.754 -0.592 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 37.8 mtp -66.66 -44.26 82.31 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.675 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.87 -29.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.875 -1.141 . . . . 0.0 109.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.406 ' N ' ' O ' ' B' ' 77' ' ' VAL . 94.2 m -65.65 -40.04 92.04 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 p -69.93 -40.0 75.77 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.31 78.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 50.6 t -69.97 -39.99 75.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.0 108.872 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.07 -40.27 88.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.87 -40.05 91.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.98 -1.075 . . . . 0.0 109.997 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -67.16 107.34 2.29 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.071 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -170.49 146.02 2.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.48 108.88 21.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.28 -0.888 . . . . 0.0 109.413 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -64.3 -39.95 94.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.485 -0.759 . . . . 0.0 109.689 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.438 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.405 ' N ' ' OG1' ' X' ' 1' ' ' THR . 98.1 mtt180 -60.13 -40.02 88.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 110.103 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -59.98 140.5 56.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.632 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -102.25 170.28 8.18 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.495 -0.753 . . . . 0.0 110.136 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' X' ' 6' ' ' ASP . 1.5 pp -60.04 -45.26 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 109.442 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' X' ' 5' ' ' ILE . 2.3 m-20 162.47 38.96 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.559 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.93 -24.48 64.39 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.441 -0.787 . . . . 0.0 109.156 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -56.82 -39.95 75.15 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.923 -1.111 . . . . 0.0 108.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -61.11 -39.51 90.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.97 -40.06 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.566 -0.709 . . . . 0.0 110.043 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.51 -39.58 84.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 108.406 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.6 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.415 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 98.6 mtt180 -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.0 109.999 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.5 t -59.97 140.34 56.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.055 -1.028 . . . . 0.0 109.531 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -102.19 170.46 8.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' Y' ' 6' ' ' ASP . 1.8 pp -59.92 -46.02 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.573 -0.704 . . . . 0.0 109.412 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' Y' ' 5' ' ' ILE . 2.2 m-20 163.31 39.13 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.544 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -59.97 -24.45 64.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.527 -0.733 . . . . 0.0 109.164 -179.746 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.91 -40.05 75.58 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.902 -1.124 . . . . 0.0 108.339 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -61.19 -39.32 89.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.505 -0.747 . . . . 0.0 109.306 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.0 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.614 -0.679 . . . . 0.0 110.118 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.85 -38.85 83.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.694 -1.253 . . . . 0.0 108.408 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.566 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.327 -0.858 . . . . 0.0 108.931 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.93 -19.46 1.02 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.934 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.98 -50.82 72.24 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.785 -1.197 . . . . 0.0 110.086 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 6' ' ' ALA . 5.3 ptmt -71.1 -39.99 71.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.458 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' H ' ' HG3' ' A' ' 5' ' ' LYS . . . -64.3 -42.76 96.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.0 tpp -59.98 -44.65 94.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.043 . . . . 0.0 109.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.18 -40.05 82.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.495 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.05 -41.4 92.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.933 -1.105 . . . . 0.0 109.679 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.79 -41.37 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.892 -1.13 . . . . 0.0 108.758 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.5 -39.52 81.23 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.157 -0.964 . . . . 0.0 109.141 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.93 -39.92 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -47.78 -54.21 13.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.381 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.409 ' CE1' ' HE2' ' B' ' 85' ' ' HIS . 95.4 m-70 -78.65 -22.87 46.21 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.251 -0.906 . . . . 0.0 111.701 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -59.99 -46.21 90.2 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 111.395 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 38.4 p90 -102.39 -33.48 9.54 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.904 -1.123 . . . . 0.0 110.475 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.7 p -62.71 -39.09 92.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.046 -1.034 . . . . 0.0 111.283 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.65 1.85 65.54 Favored Glycine 0 N--CA 1.494 2.533 0 C-N-CA 119.915 -1.136 . . . . 0.0 111.315 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.608 -1.525 . . . . 0.0 110.782 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -161.73 158.28 25.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.734 -1.229 . . . . 0.0 110.086 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -164.65 51.42 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.31 140.58 31.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.479 -1.013 . . . . 0.0 109.77 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -68.36 -26.24 65.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.428 -0.795 . . . . 0.0 110.048 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.13 -35.6 69.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.842 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -124.54 160.17 28.96 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.171 -0.956 . . . . 0.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -118.95 122.62 42.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.81 -0.556 . . . . 0.0 110.86 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 79.4 tttt -86.9 148.21 25.45 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.8 ptpt -42.21 -34.85 0.82 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.192 -0.943 . . . . 0.0 110.046 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -62.37 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.921 -1.112 . . . . 0.0 108.913 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' LYS . 49.9 mt-10 -69.24 -40.02 78.13 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -52.0 -39.94 60.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 68.1 mm-40 -71.02 -40.33 71.82 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.707 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 110.571 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.12 -41.5 79.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.903 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' N ' HD13 ' A' ' 47' ' ' ILE . 12.8 t-20 -84.84 -22.39 29.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.183 -1.573 . . . . 0.0 111.079 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 38' ' ' ASN . 0.4 OUTLIER -86.81 -42.59 13.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.559 -1.338 . . . . 0.0 110.436 -178.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' OG ' ' B' ' 1' ' ' SER . 76.5 mm-40 -83.68 -37.09 23.2 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.719 -1.238 . . . . 0.0 108.622 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 45' ' ' GLU . 19.4 mt -119.57 73.73 0.97 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 45' ' ' GLU . 61.8 m -65.85 -74.68 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 109.694 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -129.57 -14.04 4.2 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.361 -0.837 . . . . 0.0 109.351 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.03 -40.81 90.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 110.603 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.11 -50.01 1.93 Allowed 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 110.138 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 41' ' ' SER . 85.2 mt-10 -130.3 132.43 45.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.378 -0.826 . . . . 0.0 111.584 -177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -115.62 117.45 30.34 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -94.14 133.79 33.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.413 1.101 . . . . 0.0 108.721 -178.405 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.2 -25.04 1.07 Allowed 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -179.128 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.54 143.92 49.89 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.633 0.73 . . . . 0.0 110.445 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.51 -17.98 63.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.9 pt-20 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.678 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 t -60.83 -51.6 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.76 -45.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.287 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.73 -39.97 84.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.874 -1.141 . . . . 0.0 109.348 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -67.8 -38.7 83.65 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.5 t -66.69 -38.01 80.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 65.3 mmm -70.68 -42.3 70.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.293 -0.879 . . . . 0.0 109.074 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.37 -30.49 69.59 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.52 -1.362 . . . . 0.0 107.854 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.988 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 mt -106.22 -52.26 2.83 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.226 -0.921 . . . . 0.0 109.859 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.3 t0 -72.04 54.29 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.58 5.19 0.85 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.584 0.707 . . . . 0.0 109.375 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.5 m-20 -80.67 -28.79 36.7 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.53 87.55 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 107.764 -2.134 . . . . 0.0 107.764 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 p-10 -85.72 2.75 44.17 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.19 33.16 82.1 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.9 mt-10 -143.9 153.81 42.69 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.275 -1.132 . . . . 0.0 110.719 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 9.0 t -130.36 123.54 30.17 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.575 -0.703 . . . . 0.0 109.127 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.84 171.13 9.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.087 -1.008 . . . . 0.0 109.652 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 3.8 m-85 -48.31 -49.85 32.4 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.572 -0.705 . . . . 0.0 109.501 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.98 -43.61 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.01 -39.99 75.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -33.81 70.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 108.937 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.47 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.971 -1.081 . . . . 0.0 109.475 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.026 . . . . 0.0 109.239 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -40.05 82.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.125 -0.984 . . . . 0.0 108.754 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 82' ' ' THR . 78.5 p -65.16 -42.76 93.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.597 -0.689 . . . . 0.0 111.321 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ptm -69.93 -40.48 75.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.498 -1.376 . . . . 0.0 109.55 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.21 -39.59 77.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.664 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 93.1 m -67.83 -39.97 83.82 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 78' ' ' SER . 41.6 m -68.79 -40.01 79.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.58 -0.7 . . . . 0.0 109.167 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.03 78.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 111.013 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 23.2 p -65.69 -42.28 91.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.884 -1.135 . . . . 0.0 109.563 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 51.5 t-80 -60.35 -39.96 89.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 0.0 110.095 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.6 -39.99 86.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.06 101.99 1.23 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 109.214 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 67.9 t80 -130.82 -5.98 4.03 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.326 -0.859 . . . . 0.0 109.689 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.32 113.26 25.48 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 109.188 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -60.01 -39.96 87.61 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.776 -0.578 . . . . 0.0 109.485 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.519 179.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 39' ' ' GLU . 26.9 t . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.386 0.612 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.97 -40.01 87.63 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.35 -0.844 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.18 -19.27 1.12 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.013 . . . . 0.0 109.871 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.07 -50.76 72.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 110.12 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' B' ' 6' ' ' ALA . 5.9 ptmt -71.04 -39.99 71.98 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.932 -1.105 . . . . 0.0 109.526 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.4 ' H ' ' HG3' ' B' ' 5' ' ' LYS . . . -64.51 -42.6 95.7 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.415 -0.803 . . . . 0.0 110.234 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.97 -44.49 94.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.951 -1.093 . . . . 0.0 109.676 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 88.6 t -60.29 -40.03 82.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.61 92.35 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.31 -41.83 94.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.968 -1.082 . . . . 0.0 109.607 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.37 -41.56 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.992 -1.068 . . . . 0.0 108.723 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.49 -39.57 81.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.134 -0.979 . . . . 0.0 109.141 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.81 -39.99 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.648 ' CZ ' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -47.65 -54.37 12.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.315 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.44 -22.87 47.0 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 111.864 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.413 HE21 HH22 ' B' ' 20' ' ' ARG . 68.5 tp60 -60.04 -46.19 90.33 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 111.435 -177.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.551 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.1 p90 -102.42 -33.72 9.44 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.889 -1.132 . . . . 0.0 110.491 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.433 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 55.0 p -62.28 -39.3 92.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.029 -1.045 . . . . 0.0 111.19 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.433 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -77.08 1.04 65.01 Favored Glycine 0 N--CA 1.494 2.518 0 O-C-N 120.962 -1.086 . . . . 0.0 111.453 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.413 HH22 HE21 ' B' ' 16' ' ' GLN . 50.1 mtt-85 -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.627 -1.513 . . . . 0.0 110.871 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -161.54 158.32 26.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.686 -1.259 . . . . 0.0 110.091 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.01 -164.55 51.58 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.29 140.71 31.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.55 -0.97 . . . . 0.0 109.714 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -68.48 -26.18 65.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.409 -0.807 . . . . 0.0 110.028 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.18 -35.58 69.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.848 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -124.56 160.38 28.51 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -119.26 122.75 42.62 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.878 -0.514 . . . . 0.0 110.778 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' GLU . 80.0 tttt -87.11 148.26 25.3 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.7 ptpt -42.09 -34.87 0.79 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.258 -0.901 . . . . 0.0 110.037 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.542 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 79.6 p -62.33 -40.2 95.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.999 -1.063 . . . . 0.0 108.894 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.542 ' N ' ' HG ' ' B' ' 30' ' ' SER . 49.6 mt-10 -69.28 -40.03 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.12 -37.68 83.63 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -52.25 -39.99 61.09 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 68.4 mm-40 -70.85 -40.58 72.27 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.615 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.955 -1.09 . . . . 0.0 110.634 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.0 -41.52 79.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.872 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.419 ' N ' HD13 ' B' ' 47' ' ' ILE . 13.1 t-20 -84.81 -22.44 29.51 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.202 -1.561 . . . . 0.0 111.105 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.51 ' C ' HD21 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.77 -42.6 13.19 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.541 -1.35 . . . . 0.0 110.449 -178.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -83.62 -37.21 23.18 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.636 -1.29 . . . . 0.0 108.636 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' GLU . 19.3 mt -119.5 73.69 0.97 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 45' ' ' GLU . 39.8 m -66.35 -74.09 0.12 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.931 -1.106 . . . . 0.0 109.672 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -129.3 -14.35 4.29 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.01 -40.96 91.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.391 -0.818 . . . . 0.0 110.623 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.03 -50.07 1.94 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.122 -0.986 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 41' ' ' SER . 85.2 mt-10 -130.36 132.69 45.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.297 -0.877 . . . . 0.0 111.463 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -115.96 117.25 29.62 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.419 HD13 ' N ' ' B' ' 37' ' ' ASN . 0.1 OUTLIER -93.84 133.96 33.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-O 122.428 1.108 . . . . 0.0 108.83 -178.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.533 ' HD2' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.31 -25.09 1.06 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -123.5 143.99 49.82 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.646 0.736 . . . . 0.0 110.366 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -69.79 -17.88 63.44 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.94 -40.14 87.94 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.704 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.1 t -60.8 -51.73 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.68 -45.69 97.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.321 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.68 -39.95 84.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 0.0 109.324 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -67.79 -38.86 83.91 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.41 -38.26 81.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.56 -42.42 71.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 109.114 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.35 -30.38 69.51 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.472 -1.392 . . . . 0.0 107.846 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.986 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.2 mt -106.03 -52.37 2.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.237 -0.914 . . . . 0.0 109.855 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.7 t0 -72.07 54.19 0.28 Allowed 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.57 5.16 0.86 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.603 0.716 . . . . 0.0 109.337 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -80.53 -28.81 37.26 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 8.76 87.38 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.727 -2.149 . . . . 0.0 107.727 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 44.0 p-10 -86.14 3.16 43.95 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.467 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.64 33.72 85.31 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.596 -1.802 . . . . 0.0 108.596 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.3 mt-10 -144.13 153.75 42.47 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.372 -1.075 . . . . 0.0 110.681 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.6 t -130.4 123.37 29.7 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.55 171.34 9.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.648 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 3.8 m-85 -48.49 -49.7 34.71 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.564 0.697 . . . . 0.0 109.512 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -60.01 -43.68 95.08 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.841 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.97 -1.081 . . . . 0.0 109.02 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.551 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.06 -36.84 85.32 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -33.7 70.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.363 -0.836 . . . . 0.0 108.919 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.66 65.72 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.992 -1.067 . . . . 0.0 109.468 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.03 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 109.203 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -39.93 82.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.112 -0.992 . . . . 0.0 108.8 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.453 ' HG ' ' N ' ' B' ' 79' ' ' MET . 73.3 p -65.34 -42.53 92.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.453 ' N ' ' HG ' ' B' ' 78' ' ' SER . 14.3 ptm -70.03 -40.61 75.08 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.473 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.2 -39.45 76.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.624 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.417 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 94.4 m -67.92 -40.01 83.46 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 78' ' ' SER . 41.9 m -68.78 -39.99 79.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.627 -0.671 . . . . 0.0 109.35 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.91 78.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.243 -0.911 . . . . 0.0 110.983 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 21.9 p -65.98 -42.21 90.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.843 -1.16 . . . . 0.0 109.614 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 51.5 t-80 -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 110.127 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -39.96 86.8 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -68.07 102.13 1.26 Allowed 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.078 -1.014 . . . . 0.0 109.208 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 64.8 t80 -131.04 -6.0 3.91 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.379 -0.826 . . . . 0.0 109.626 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -91.09 113.37 25.62 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.119 -0.988 . . . . 0.0 109.227 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -59.96 -40.02 87.59 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.38 0.61 . . . . 0.0 109.48 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.464 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.25 79.54 7.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.123 -0.986 . . . . 0.0 108.828 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 76.3 p -77.59 -17.48 57.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.46 -0.775 . . . . 0.0 109.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -69.66 148.09 49.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.153 -0.967 . . . . 0.0 109.877 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.9 pp -96.86 -163.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.603 0.716 . . . . 0.0 109.187 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -98.53 119.64 37.59 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.814 0.816 . . . . 0.0 110.925 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -39.95 93.52 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.421 0.629 . . . . 0.0 109.378 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.562 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 1.0 OUTLIER -54.5 -38.72 66.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.112 -178.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.562 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 7.2 ttpm? -60.02 -42.31 94.05 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.077 -1.014 . . . . 0.0 109.936 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.414 HD11 HG23 ' X' ' 10' ' ' ILE . 95.2 mt -70.02 -40.04 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.079 -1.013 . . . . 0.0 110.506 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.009 -1.057 . . . . 0.0 109.047 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.606 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -81.13 79.36 7.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 108.853 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -77.28 -17.77 58.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.708 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -69.61 148.21 49.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.162 -0.961 . . . . 0.0 109.827 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 pp -97.24 -162.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -98.72 119.56 37.66 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.833 0.825 . . . . 0.0 111.003 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -40.0 93.46 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.426 0.632 . . . . 0.0 109.416 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.594 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.9 OUTLIER -54.58 -38.52 66.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.19 -178.626 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.594 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 7.2 ttpm? -60.01 -42.66 94.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.094 -1.004 . . . . 0.0 109.922 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.93 -40.03 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.074 -1.016 . . . . 0.0 110.489 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -39.61 86.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.87 -1.144 . . . . 0.0 109.017 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.63 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.65 ' HG ' HD22 ' B' ' 38' ' ' ASN . 35.1 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.48 0.657 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -17.83 63.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -50.02 -23.42 2.05 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.94 -1.1 . . . . 0.0 108.733 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.23 -52.14 50.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.509 -0.744 . . . . 0.0 110.226 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.77 -29.99 65.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.92 -1.112 . . . . 0.0 110.052 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.92 45.75 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.17 -42.22 94.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.739 -1.225 . . . . 0.0 110.279 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 m -60.81 -39.26 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.09 . . . . 0.0 108.935 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.31 93.26 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.093 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.36 -41.58 93.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.198 -0.938 . . . . 0.0 108.981 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.08 -45.76 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 108.867 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -71.32 -40.06 71.02 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.234 -0.917 . . . . 0.0 109.954 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.97 -33.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CG ' ' CE2' ' A' ' 70' ' ' PHE . 89.3 t80 -59.3 -46.45 88.52 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.372 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -79.87 -22.49 42.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 111.147 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -60.1 -44.56 94.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.014 -1.054 . . . . 0.0 110.886 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -105.91 -26.89 11.51 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.108 -0.995 . . . . 0.0 110.69 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 20' ' ' ARG . 47.6 t -60.09 -39.04 84.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.46 -1.4 . . . . 0.0 109.693 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.49 3.22 6.35 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG2' HH11 ' A' ' 20' ' ' ARG . 16.9 ttt-85 -60.36 -40.16 89.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -1.143 . . . . 0.0 109.73 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 22' ' ' GLY . 97.4 mt-10 -134.45 163.61 29.3 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.332 -0.855 . . . . 0.0 109.627 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -54.69 -169.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 55.79 50.81 13.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.992 -1.299 . . . . 0.0 109.048 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.39 -25.87 66.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.642 -0.661 . . . . 0.0 110.556 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -70.13 -21.41 63.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 109.881 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -131.32 158.32 40.98 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.342 -0.849 . . . . 0.0 109.8 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.03 138.95 47.97 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.9 ttmm -103.38 154.13 19.73 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' NZ ' ' A' ' 29' ' ' LYS . 7.8 mtmp? -41.67 -42.73 2.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.382 -0.824 . . . . 0.0 109.828 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -60.81 -40.11 91.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.447 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.4 mt-10 -68.23 -39.99 82.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.183 -0.948 . . . . 0.0 109.263 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -65.45 -39.02 91.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.025 . . . . 0.0 108.536 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.64 -39.83 71.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -69.28 -40.19 77.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.34 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 17.9 tp -59.98 -49.95 75.65 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.647 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.11 -41.4 84.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 110.286 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.67 -24.58 45.05 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.822 -1.174 . . . . 0.0 110.982 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.566 ' ND2' ' HG ' ' B' ' 1' ' ' SER . 0.5 OUTLIER -88.05 -21.77 24.57 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.863 -1.148 . . . . 0.0 110.795 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 21.6 mp0 -109.0 -32.3 7.3 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.925 -1.109 . . . . 0.0 109.409 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' GLU . 22.3 mt -113.43 45.24 1.43 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.449 -0.782 . . . . 0.0 108.963 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -59.92 -53.71 54.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 109.948 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -130.33 -8.3 4.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.502 -0.749 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -62.48 -44.91 95.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.1 -1.0 . . . . 0.0 109.254 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.09 -99.59 0.33 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.568 -0.708 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' CG ' ' NE1' ' X' ' 7' ' ' TRP . 0.6 OUTLIER -97.42 141.61 30.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.112 -0.992 . . . . 0.0 111.113 -179.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 86.2 tt0 -100.81 119.03 38.05 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 47' ' ' ILE . 21.9 mm -90.17 109.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 122.026 0.917 . . . . 0.0 110.97 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -122.33 -14.4 7.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.808 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 80.4 tt0 -124.03 137.47 54.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.631 -0.668 . . . . 0.0 109.979 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -61.63 -25.31 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.8 pt-20 -52.45 -42.07 63.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.826 . . . . 0.0 109.783 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 1.9 t -64.95 -49.84 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.2 -48.28 89.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.363 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.85 -43.74 97.93 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.171 -0.956 . . . . 0.0 109.513 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.618 ' HZ3' ' HG ' ' X' ' 12' ' ' SER . 55.5 tttp -70.03 -36.19 74.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.809 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.65 -31.31 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -70.25 -40.03 74.68 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.546 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -68.99 -39.47 79.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.748 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.95 -52.68 3.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.253 -0.904 . . . . 0.0 109.285 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.1 t0 -79.91 57.16 2.52 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -68.42 1.31 3.12 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.1 m-20 -76.43 -34.22 58.79 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 10.87 70.15 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.4 p-10 -84.47 3.15 37.66 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.12 33.95 86.12 Favored Glycine 0 N--CA 1.483 1.804 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.3 mt-10 -145.68 159.64 42.86 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.362 -1.081 . . . . 0.0 110.608 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.01 127.72 36.82 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -89.17 170.74 10.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 14' ' ' PHE . 3.1 t80 -49.57 -48.26 48.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.333 -0.854 . . . . 0.0 109.294 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -60.2 -39.98 88.44 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 110.09 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.35 -39.3 81.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.059 -1.025 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.98 -40.76 90.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 108.86 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.7 mmm -60.87 -38.82 86.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.43 70.3 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.177 -0.952 . . . . 0.0 110.396 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -59.68 -40.21 87.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.633 -1.292 . . . . 0.0 108.061 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -66.24 -40.17 86.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 107.661 -1.236 . . . . 0.0 107.661 178.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.7 t -62.57 -46.63 87.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.669 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -69.58 -40.09 76.94 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.292 -1.363 . . . . 0.0 110.019 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.64 -34.86 29.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.02 -1.05 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 51.6 m -69.26 -39.82 78.19 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' SER . 92.6 m -66.66 -40.05 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.04 94.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.065 -1.022 . . . . 0.0 109.067 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.6 t -62.1 -47.42 84.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.842 . . . . 0.0 108.962 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.15 -39.89 87.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.448 -0.782 . . . . 0.0 108.925 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 86.2 tt0 -60.19 -40.03 88.6 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.98 107.6 0.89 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' CD2' ' O ' ' A' ' 86' ' ' GLU . 87.7 m-85 -89.65 120.04 30.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.12 107.36 7.14 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.389 -0.819 . . . . 0.0 109.074 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -60.67 -40.36 91.8 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.489 0.661 . . . . 0.0 109.841 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.92 -178.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.566 ' HG ' ' ND2' ' A' ' 38' ' ' ASN . 42.6 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.426 0.631 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.2 -17.92 64.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.66 -23.38 1.7 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 108.767 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -66.64 -51.91 50.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -71.74 -30.01 65.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.965 -1.085 . . . . 0.0 109.992 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.3 -40.02 45.83 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 110.379 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.4 ttm -59.91 -42.55 94.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.888 -1.132 . . . . 0.0 110.244 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -60.88 -39.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.138 -0.977 . . . . 0.0 108.936 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.86 93.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.9 -41.24 91.74 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.218 -0.926 . . . . 0.0 108.766 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.21 -45.77 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 108.75 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.06 -40.34 71.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 0.0 110.053 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -60.13 -32.81 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.455 ' CG ' ' CE2' ' B' ' 70' ' ' PHE . 88.7 t80 -58.7 -47.18 85.44 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.272 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.57 -22.73 43.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 111.273 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.88 -44.53 94.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.96 -1.088 . . . . 0.0 110.965 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -105.82 -26.87 11.57 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.079 -1.013 . . . . 0.0 110.809 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.41 ' C ' ' H ' ' B' ' 20' ' ' ARG . 47.7 t -60.21 -38.97 84.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.408 -1.432 . . . . 0.0 109.801 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.61 2.88 6.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' B' ' 20' ' ' ARG . 17.4 ttt-85 -60.21 -39.86 88.08 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.359 -1.083 . . . . 0.0 109.672 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 22' ' ' GLY . 96.6 mt-10 -134.26 163.28 29.99 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.384 -0.823 . . . . 0.0 109.518 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.05 -169.11 0.05 OUTLIER Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 56.11 50.47 13.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -1.227 . . . . 0.0 108.942 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.08 -26.35 66.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.608 -0.683 . . . . 0.0 110.619 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -69.96 -21.12 63.28 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.921 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.25 158.11 41.46 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.3 -0.875 . . . . 0.0 109.755 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -111.9 139.06 47.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.6 ttmm -103.39 154.12 19.75 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' B' ' 29' ' ' LYS . 7.8 mtmp? -41.89 -43.21 2.97 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.385 -0.822 . . . . 0.0 109.609 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -60.45 -40.09 89.89 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 109.693 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 46.9 mt-10 -68.12 -39.87 82.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 109.337 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.8 -39.71 94.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.186 -0.946 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.58 -39.92 71.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 38' ' ' ASN . 50.1 tp10 -68.95 -40.72 78.77 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.526 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.488 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 tp -59.91 -50.03 75.39 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.83 -41.36 84.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 O-C-N 120.771 -1.206 . . . . 0.0 110.408 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.74 -24.62 44.71 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.0 110.929 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.65 HD22 ' HG ' ' A' ' 1' ' ' SER . 0.5 OUTLIER -87.94 -21.68 24.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.797 -1.189 . . . . 0.0 110.939 -178.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 22.8 mp0 -109.39 -31.78 7.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.929 -1.107 . . . . 0.0 109.383 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' B' ' 45' ' ' GLU . 22.5 mt -113.68 44.85 1.53 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -59.97 -53.67 55.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.915 -1.115 . . . . 0.0 109.973 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -130.23 -8.23 4.28 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.411 -0.806 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -62.6 -44.73 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 109.393 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.1 -99.64 0.33 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.518 -0.739 . . . . 0.0 109.117 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' NE1' ' Y' ' 7' ' ' TRP . 0.7 OUTLIER -97.75 142.55 29.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.08 -1.012 . . . . 0.0 110.982 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -101.25 119.37 38.65 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.424 HG21 HD12 ' B' ' 47' ' ' ILE . 22.1 mm -90.22 110.04 21.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.995 0.902 . . . . 0.0 110.852 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -122.47 -14.1 7.88 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.7 tt0 -123.88 137.83 54.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.613 -0.68 . . . . 0.0 109.915 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -62.26 -25.21 67.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.355 -0.84 . . . . 0.0 110.065 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -52.37 -42.5 64.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.852 . . . . 0.0 109.651 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.459 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 1.6 t -64.56 -49.75 79.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.39 -48.13 90.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.72 -44.39 96.69 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.323 -0.86 . . . . 0.0 109.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -69.77 -35.73 75.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.244 -0.91 . . . . 0.0 109.09 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.26 -31.08 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.574 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.2 OUTLIER -70.26 -40.2 74.52 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.459 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.03 -31.74 70.25 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -39.31 78.31 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -102.79 -52.93 2.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 109.162 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.2 t0 -79.78 57.08 2.44 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -68.2 1.08 3.09 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.2 m-20 -76.24 -34.61 59.19 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.09 69.54 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.0 p-10 -84.5 3.23 37.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.06 33.81 85.5 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.534 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.3 mt-10 -145.58 159.56 42.95 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.369 -1.077 . . . . 0.0 110.834 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -132.0 127.7 36.81 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -89.25 170.72 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.451 -0.781 . . . . 0.0 109.508 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE2' ' CG ' ' B' ' 14' ' ' PHE . 3.3 t80 -49.6 -48.27 49.02 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.326 -0.859 . . . . 0.0 109.225 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.1 -39.8 87.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 110.114 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.79 -38.85 80.28 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.956 -1.09 . . . . 0.0 109.388 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.04 -41.44 92.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 108.526 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.25 -38.91 84.95 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.9 70.85 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.211 -0.93 . . . . 0.0 110.475 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -59.66 -40.04 86.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.799 -1.188 . . . . 0.0 108.086 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.447 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER -66.39 -40.29 86.27 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.444 ' O ' ' OG1' ' B' ' 82' ' ' THR . 22.9 t -62.35 -46.93 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.63 -178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -69.42 -40.0 77.54 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.008 -1.477 . . . . 0.0 110.05 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.55 -34.69 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.935 -1.103 . . . . 0.0 108.342 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 52.1 m -69.36 -39.91 77.81 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 78' ' ' SER . 93.7 m -66.87 -40.09 87.72 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.467 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.92 94.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.152 -0.968 . . . . 0.0 109.074 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.04 -47.2 85.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 108.985 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.24 -40.06 88.92 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 86.4 tt0 -60.21 -39.84 88.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -62.28 107.47 0.91 Allowed 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.5 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' B' ' 86' ' ' GLU . 87.8 m-85 -89.3 119.92 30.2 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -74.95 107.4 6.99 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.347 -0.846 . . . . 0.0 109.171 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.78 -40.53 92.9 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.423 0.63 . . . . 0.0 109.932 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.014 -0.994 . . . . 0.0 109.969 -179.144 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.454 ' H2 ' ' HG1' ' X' ' 1' ' ' THR . 15.8 m . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' X' ' 2' ' ' ARG . 47.6 mtt-85 -81.29 -11.02 59.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.034 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -78.24 158.76 28.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -87.55 173.5 9.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.444 -0.785 . . . . 0.0 109.637 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.587 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.3 pp -60.08 -165.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 122.957 1.361 . . . . 0.0 110.246 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' X' ' 9' ' ' LYS . 6.3 m-20 -62.36 6.53 0.08 Allowed 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.645 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.587 ' H ' ' C ' ' X' ' 5' ' ' ILE . 15.3 t-105 -41.01 -28.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.615 -0.678 . . . . 0.0 109.6 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.55 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.8 OUTLIER -73.75 -39.06 64.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.47 -0.769 . . . . 0.0 108.962 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.55 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 62.7 tttp -59.92 -49.97 75.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 0.0 110.213 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.47 -24.8 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' X' ' 7' ' ' TRP . 1.7 tp -59.01 -40.17 84.14 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.149 -0.97 . . . . 0.0 109.808 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.618 ' HG ' ' HZ3' ' A' ' 55' ' ' LYS . 67.0 m . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.729 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.444 ' H2 ' ' HG1' ' Y' ' 1' ' ' THR . 12.2 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 48.5 mtt-85 -81.55 -10.97 59.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 108.986 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 37.4 p -78.25 158.66 28.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.0 109.672 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.42 173.37 9.17 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.537 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.589 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.2 pp -60.19 -165.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-O 122.814 1.292 . . . . 0.0 110.331 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' Y' ' 9' ' ' LYS . 6.4 m-20 -62.2 6.48 0.08 Allowed 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.738 178.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.589 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 16.3 t-105 -40.76 -29.24 0.09 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.702 -0.624 . . . . 0.0 109.611 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.559 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.8 OUTLIER -73.58 -39.09 64.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.475 -0.766 . . . . 0.0 109.068 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.559 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -59.92 -49.84 76.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.75 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -70.25 -24.81 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' CD1' ' CZ2' ' Y' ' 7' ' ' TRP . 1.6 tp -59.32 -39.86 84.45 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.247 -0.908 . . . . 0.0 109.777 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.63 -179.695 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.329 0.585 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 4' ' ' GLU . 98.1 mt-10 -60.97 -36.38 79.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 109.818 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.32 -23.79 0.64 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 108.735 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.3 tt0 -67.91 -59.24 3.44 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.827 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -33.42 71.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.119 -0.988 . . . . 0.0 109.607 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.99 92.01 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.085 -1.009 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.7 ttm -60.6 -40.28 91.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.007 -1.058 . . . . 0.0 109.183 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.02 -40.49 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.76 87.08 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.404 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.89 -41.27 95.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.043 -1.036 . . . . 0.0 109.661 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -40.38 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.993 -1.067 . . . . 0.0 108.907 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.94 75.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.62 -35.83 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.22 -49.41 76.11 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.976 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' B' ' 85' ' ' HIS . 37.8 m170 -80.8 -22.59 39.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.08 -1.013 . . . . 0.0 111.156 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -59.62 -42.49 92.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.117 -0.989 . . . . 0.0 112.009 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CD2' HD23 ' A' ' 35' ' ' LEU . 32.8 p90 -110.26 -30.98 7.48 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.86 -1.15 . . . . 0.0 111.038 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' HD21 ' A' ' 27' ' ' LEU . 56.7 p -62.09 -41.56 98.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.972 -1.08 . . . . 0.0 111.05 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.35 13.55 64.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 31.2 ttt-85 -68.81 -42.74 76.87 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.671 -1.488 . . . . 0.0 109.824 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -162.48 156.29 20.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.702 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.24 -151.83 35.39 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.75 116.05 21.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -1.065 . . . . 0.0 110.114 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -67.41 -26.39 66.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.543 -0.723 . . . . 0.0 109.971 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.55 -35.67 73.24 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.233 -0.917 . . . . 0.0 111.661 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -129.53 155.65 45.43 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.08 -1.013 . . . . 0.0 109.697 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 18' ' ' SER . 78.2 mt -104.95 128.89 53.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.549 -0.72 . . . . 0.0 110.506 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.9 ttpt -100.47 148.87 24.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.5 ptmt -40.65 -40.59 1.32 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.692 -0.63 . . . . 0.0 111.121 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 69.8 m -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.665 -1.272 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.947 -1.096 . . . . 0.0 108.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.44 -37.95 89.27 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.388 -0.82 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.77 -40.02 72.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.753 -1.217 . . . . 0.0 107.738 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' ASN . 85.2 tt0 -66.53 -40.25 89.01 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.269 -0.972 . . . . 0.0 108.487 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.05 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.432 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.43 HG22 HD11 ' A' ' 47' ' ' ILE . 57.0 mt -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.932 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 35.2 t30 -80.55 -23.11 40.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.754 -1.216 . . . . 0.0 111.675 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' GLU . 20.2 t-20 -89.03 -27.31 20.93 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.836 -1.165 . . . . 0.0 111.329 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 19.4 mp0 -101.77 -24.93 13.99 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.87 -1.144 . . . . 0.0 108.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 45' ' ' GLU . 16.3 mt -123.64 46.65 2.18 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -43.63 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -122.66 14.63 10.17 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.477 -0.764 . . . . 0.0 109.949 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.6 m-85 -68.67 -39.95 80.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.001 -1.062 . . . . 0.0 110.055 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -156.48 -35.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.783 -1.198 . . . . 0.0 109.947 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' HD12 ' A' ' 44' ' ' LEU . 90.9 mt-10 -119.51 117.5 28.58 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.299 -0.876 . . . . 0.0 110.153 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -107.75 121.82 45.49 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 HG22 ' A' ' 36' ' ' ILE . 1.3 mm -103.78 122.61 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 122.298 1.047 . . . . 0.0 109.95 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.578 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.63 -13.28 1.73 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -124.51 157.86 34.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.492 -0.755 . . . . 0.0 110.392 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.54 -20.93 49.57 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.08 -41.11 91.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 110.102 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.7 t -64.39 -46.3 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.13 -44.73 98.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.136 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.12 -42.67 96.77 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.807 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -37.51 75.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.154 -0.966 . . . . 0.0 108.998 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' VAL . 46.1 t -68.06 -35.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.706 -0.621 . . . . 0.0 109.467 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.7 mmm -70.22 -39.96 74.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.053 -1.029 . . . . 0.0 109.898 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.87 -27.55 66.78 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.401 -1.437 . . . . 0.0 107.27 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -72.57 -35.32 67.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.988 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.7 mt -103.57 -58.7 1.83 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.8 t0 -69.51 56.84 0.12 Allowed 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 95.7 mt-10 -66.54 6.18 0.49 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.608 0.718 . . . . 0.0 109.47 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.7 m-20 -93.62 -29.05 15.66 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.2 85.17 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 36.3 p-10 -79.46 1.65 24.81 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.42 31.33 71.2 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 107.908 -2.077 . . . . 0.0 107.908 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.7 mt-10 -143.39 155.65 44.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.548 -0.972 . . . . 0.0 110.057 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 2.8 t -132.7 126.73 33.22 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -84.99 170.05 13.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.016 -1.052 . . . . 0.0 109.565 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 14.1 p90 -54.77 -43.21 72.58 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.566 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -63.38 -40.74 98.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.62 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.33 -39.94 77.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 110.684 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -67.85 -37.57 82.02 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.58 -34.63 74.47 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 109.099 -179.027 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -29.74 68.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.146 -0.971 . . . . 0.0 110.117 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.76 -40.81 89.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.01 -1.056 . . . . 0.0 108.678 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.96 -43.07 91.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.443 -0.786 . . . . 0.0 108.947 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -60.15 -44.1 95.23 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.604 -0.685 . . . . 0.0 109.826 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.3 -45.3 95.04 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.097 -1.041 . . . . 0.0 109.449 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.4 -38.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.6 m -61.23 -40.15 92.94 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.9 m -67.57 -41.02 84.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.27 73.27 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.274 -0.891 . . . . 0.0 109.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -61.06 -40.24 92.92 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.156 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.28 -38.02 82.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.127 -0.983 . . . . 0.0 109.615 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.57 -31.01 65.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 108.7 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 4' ' ' GLU . 98.7 mt-10 -60.75 -35.37 76.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.9 -22.16 0.79 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.909 -1.119 . . . . 0.0 108.872 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.0 tt0 -68.83 -59.29 3.19 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.619 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -33.78 72.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 109.571 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.75 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.869 -1.145 . . . . 0.0 109.71 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 59.4 ttm -60.45 -40.43 91.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.05 -40.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.75 91.27 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.368 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.86 -41.14 97.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.912 -1.117 . . . . 0.0 109.602 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -40.52 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.897 -1.127 . . . . 0.0 108.88 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.02 -39.78 75.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.45 -36.61 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -56.64 -49.43 75.04 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 109.86 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 85' ' ' HIS . 38.3 m170 -80.93 -22.23 39.84 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.898 -1.126 . . . . 0.0 111.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.08 -42.32 94.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 0.0 111.814 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.578 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -110.18 -31.01 7.49 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.927 -1.108 . . . . 0.0 111.116 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.463 ' CB ' HD21 ' B' ' 27' ' ' LEU . 60.7 p -61.73 -41.71 97.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.056 -1.028 . . . . 0.0 110.95 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.27 13.28 65.51 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 20' ' ' ARG . 27.9 ttt-85 -69.16 -42.83 75.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.893 -1.357 . . . . 0.0 109.845 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -161.94 156.67 22.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.333 -0.854 . . . . 0.0 109.664 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.04 -151.36 35.12 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -82.3 115.56 21.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -1.085 . . . . 0.0 110.146 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -67.11 -26.29 66.63 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.432 -0.792 . . . . 0.0 110.116 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.58 -35.84 73.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 111.471 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -129.48 155.83 45.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.131 -0.981 . . . . 0.0 109.549 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' B' ' 18' ' ' SER . 76.0 mt -105.15 128.28 53.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.635 -0.666 . . . . 0.0 110.698 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' B' ' 30' ' ' SER . 30.3 ttpt -99.37 149.04 23.56 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -40.79 -40.71 1.4 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.4 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 57.0 m -61.71 -43.52 98.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.518 -1.364 . . . . 0.0 110.524 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.13 -39.81 75.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.849 -1.157 . . . . 0.0 108.943 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -38.25 90.44 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.517 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.78 -39.88 71.85 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 38' ' ' ASN . 84.7 tt0 -66.74 -40.31 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.446 -0.901 . . . . 0.0 108.614 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.728 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -59.87 -49.98 75.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.351 -0.843 . . . . 0.0 109.254 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.412 HG22 HD11 ' B' ' 47' ' ' ILE . 57.0 mt -65.72 -43.45 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -80.44 -23.48 40.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.855 -1.153 . . . . 0.0 111.619 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 34' ' ' GLU . 20.4 t-20 -88.64 -27.61 21.18 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.778 -1.201 . . . . 0.0 111.468 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 20.8 mp0 -101.99 -24.37 14.0 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.854 -1.154 . . . . 0.0 108.977 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' B' ' 45' ' ' GLU . 18.0 mt -124.41 46.64 2.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -44.05 -80.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.294 -0.879 . . . . 0.0 110.675 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -122.84 15.14 10.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.396 -0.815 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.449 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 88.2 m-85 -69.38 -40.17 77.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.784 -1.198 . . . . 0.0 109.939 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 45' ' ' GLU . 0.3 OUTLIER -155.81 -35.54 0.09 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.84 -1.163 . . . . 0.0 110.099 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 40' ' ' LEU . 91.5 mt-10 -119.51 117.28 27.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.497 -0.752 . . . . 0.0 110.354 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -107.21 122.1 45.85 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 36' ' ' ILE . 1.4 mm -104.73 122.45 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 122.294 1.045 . . . . 0.0 109.864 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.85 -12.55 1.71 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.81 157.77 35.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.519 -0.738 . . . . 0.0 110.354 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.8 -20.73 49.09 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -60.04 -41.47 92.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.572 -0.705 . . . . 0.0 110.048 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.451 ' O ' HG23 ' B' ' 56' ' ' VAL . 5.5 t -63.88 -46.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.15 -44.85 99.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.132 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.01 -42.51 97.12 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.9 -1.12 . . . . 0.0 109.88 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.07 -37.52 75.49 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.203 -0.936 . . . . 0.0 108.901 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.1 t -68.13 -35.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 109.506 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -70.38 -39.94 74.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.059 -1.026 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.78 -27.79 66.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.418 -1.426 . . . . 0.0 107.201 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -72.4 -35.42 68.41 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.08 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 62' ' ' GLU . 11.2 mt -103.22 -58.69 1.83 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -69.42 56.8 0.12 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 60' ' ' LEU . 97.6 mt-10 -66.68 6.75 0.43 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.389 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.7 m-20 -93.94 -29.25 15.36 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.34 9.88 85.35 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.545 -1.822 . . . . 0.0 108.545 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.3 p-10 -79.79 2.25 23.71 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.548 -0.972 . . . . 0.0 108.493 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.93 30.97 72.25 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.8 mt-10 -142.89 155.5 44.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.56 -0.965 . . . . 0.0 110.067 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 2.0 t -132.49 126.97 34.2 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.45 169.92 13.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.504 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 14.0 p90 -54.53 -43.27 71.79 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.561 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.9 tt0 -63.23 -40.55 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.799 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.65 -39.83 76.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.975 -1.078 . . . . 0.0 110.502 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -67.79 -37.78 82.49 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.889 0.852 . . . . 0.0 109.162 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.9 -33.95 73.91 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.319 -0.863 . . . . 0.0 109.11 -178.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.52 -29.52 68.12 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.229 -0.919 . . . . 0.0 110.154 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.83 -40.67 89.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.959 -1.088 . . . . 0.0 108.682 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.428 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -59.88 -43.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.41 -0.806 . . . . 0.0 108.827 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -60.26 -44.21 95.49 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.641 -0.662 . . . . 0.0 109.939 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.55 -45.14 95.43 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.153 -1.019 . . . . 0.0 109.429 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.46 -37.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -61.57 -39.95 92.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.213 -0.929 . . . . 0.0 108.702 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 m -68.08 -40.64 82.62 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.178 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.72 73.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.281 -0.887 . . . . 0.0 109.743 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.31 -40.5 94.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.343 -0.848 . . . . 0.0 109.052 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 15' ' ' HIS . 54.6 t-80 -60.11 -38.66 83.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -56.86 -31.55 64.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.133 -0.98 . . . . 0.0 109.135 179.694 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.813 0.34 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.29 -39.95 88.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.894 -1.128 . . . . 0.0 108.767 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.96 -40.52 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.785 . . . . 0.0 110.834 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 120.875 -1.141 . . . . 0.0 109.448 -179.563 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.798 0.332 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.956 -1.09 . . . . 0.0 108.897 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.29 -40.69 78.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.533 -0.729 . . . . 0.0 110.779 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.09 -39.27 85.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.899 -1.126 . . . . 0.0 109.374 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 43.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.468 -179.747 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.78 -39.89 91.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.14 -0.975 . . . . 0.0 108.838 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.84 -22.55 25.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.144 -0.973 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.417 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 49.0 tp10 -59.76 -52.69 64.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -74.29 -40.76 62.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.759 -1.213 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.35 97.35 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.078 -1.013 . . . . 0.0 110.288 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.1 ttm -60.3 -41.12 92.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.614 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.28 -40.15 82.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-O 122.012 0.911 . . . . 0.0 109.142 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.38 98.96 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.441 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.5 -40.05 95.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.38 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.894 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.69 -39.9 76.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.727 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG13 ' OE2' ' A' ' 39' ' ' GLU . 18.5 t -58.66 -36.02 58.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.99 -49.86 76.01 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.975 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -81.21 -24.13 37.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.054 -1.029 . . . . 0.0 111.533 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.96 -43.83 94.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.234 -0.916 . . . . 0.0 112.449 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 39.7 p90 -109.95 -30.07 7.97 Favored 'General case' 0 N--CA 1.514 2.734 0 O-C-N 120.802 -1.186 . . . . 0.0 110.879 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -59.75 -39.94 86.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.984 -1.072 . . . . 0.0 110.23 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.18 10.18 59.01 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 65.1 ttt180 -65.71 -42.09 91.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.754 -1.439 . . . . 0.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 20.4 pt-20 -161.6 165.17 28.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 109.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.9 -152.68 51.57 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.846 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.36 133.13 37.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.556 -0.967 . . . . 0.0 110.433 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.37 -39.92 77.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.83 -18.9 60.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.745 -0.597 . . . . 0.0 112.206 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -129.7 157.65 41.54 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.862 -1.149 . . . . 0.0 110.588 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.9 mt -117.51 138.96 51.54 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.929 -0.482 . . . . 0.0 109.811 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' GLU . 82.0 tttt -109.42 148.35 31.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ptmt -39.44 -38.53 0.57 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.495 -0.753 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.6 p -61.59 -42.68 99.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.091 -1.006 . . . . 0.0 109.643 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 81.5 mt-10 -69.57 -39.31 77.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.022 -1.049 . . . . 0.0 108.459 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.86 -40.01 93.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.84 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -54.36 -40.11 67.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ASN . 53.7 tp10 -69.84 -40.01 76.1 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 19.7 tp -59.76 -51.8 68.19 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.407 -0.808 . . . . 0.0 110.247 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.26 -40.32 86.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.371 -0.831 . . . . 0.0 109.371 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.416 ' O ' ' OG ' ' A' ' 41' ' ' SER . 20.7 t30 -79.1 -22.74 44.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.876 -1.14 . . . . 0.0 110.189 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t-20 -86.33 -27.31 24.38 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 110.44 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.568 ' OE2' HG13 ' A' ' 13' ' ' VAL . 98.9 mt-10 -108.9 -33.93 6.79 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.088 -1.007 . . . . 0.0 109.13 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD13 HD12 ' A' ' 44' ' ' LEU . 16.4 mt -114.66 51.4 0.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 7.2 m -59.65 -62.15 2.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.115 -0.991 . . . . 0.0 109.831 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -129.63 -5.64 4.66 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 54.0 t80 -60.45 -40.79 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 0.0 109.168 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 40' ' ' LEU . 78.9 mt -127.91 -98.83 0.37 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.469 -0.769 . . . . 0.0 109.343 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -93.6 141.54 28.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.39 -0.819 . . . . 0.0 109.412 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 87.9 tt0 -100.26 118.29 36.25 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 mm -90.92 109.64 21.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-O 122.169 0.985 . . . . 0.0 109.762 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -13.63 8.1 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 43.5 mt-10 -122.15 144.51 48.9 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.564 0.697 . . . . 0.0 110.379 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.69 -20.37 63.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.06 -42.7 95.1 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.993 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' VAL . 9.5 t -61.2 -49.97 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.46 -43.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.994 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -62.92 -46.78 86.2 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 118.73 -1.188 . . . . 0.0 108.607 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -70.09 -37.91 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.59 0.709 . . . . 0.0 109.515 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' VAL . 40.8 t -77.08 -30.4 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.9 tpt -70.25 -40.37 74.44 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.64 -28.23 68.41 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 m -67.61 -27.29 66.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.747 -0.596 . . . . 0.0 109.443 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.97 -45.29 4.2 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 52.2 t0 -82.73 59.41 4.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.35 0.64 1.37 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -87.77 -33.33 18.7 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.15 12.97 82.66 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.6 p-10 -82.88 7.33 15.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.93 38.35 92.79 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 76.2 tt0 -146.79 152.47 38.83 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.3 -1.118 . . . . 0.0 111.001 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 t -132.03 110.95 11.09 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.93 166.18 22.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.854 -1.154 . . . . 0.0 110.051 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 26.3 p90 -52.65 -41.35 63.71 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.48 -0.763 . . . . 0.0 109.158 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 66.3 tt0 -63.25 -41.21 99.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -70.34 -40.15 74.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.174 -0.954 . . . . 0.0 110.287 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -65.44 -38.79 90.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 108.699 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.91 -32.55 70.86 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.413 -0.804 . . . . 0.0 109.03 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.72 67.46 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.978 -1.076 . . . . 0.0 109.787 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.7 -42.61 84.05 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -44.41 95.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p -60.54 -44.79 95.71 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.4 ttp -61.27 -47.07 87.72 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.325 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 t -78.81 -28.63 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.845 -1.159 . . . . 0.0 109.472 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.0 m -64.85 -40.16 94.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.965 -1.084 . . . . 0.0 108.973 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 p -66.54 -39.42 88.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.677 -0.64 . . . . 0.0 110.079 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.51 90.14 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.692 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.64 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.043 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -63.18 -39.49 94.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.298 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.518 -0.739 . . . . 0.0 109.578 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--N 1.297 -1.704 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.574 179.514 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.18 -39.91 90.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.967 -1.083 . . . . 0.0 108.898 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.7 -22.3 22.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 48.7 tp10 -59.96 -52.92 63.33 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.832 -1.168 . . . . 0.0 110.221 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -74.09 -39.99 63.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.769 -1.207 . . . . 0.0 110.594 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.16 95.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.091 -1.005 . . . . 0.0 110.161 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.18 -40.95 91.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.595 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 4' ' ' GLU . 81.1 t -60.45 -40.04 82.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.009 0.909 . . . . 0.0 109.042 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.77 98.32 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.473 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.77 -40.39 95.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.0 110.401 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -40.19 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.071 -1.018 . . . . 0.0 108.808 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -70.08 -40.01 75.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.94 -1.1 . . . . 0.0 109.672 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.547 HG13 ' OE2' ' B' ' 39' ' ' GLU . 14.1 t -58.61 -36.2 58.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.65 -50.02 75.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 110.119 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -80.98 -23.87 38.43 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.985 -1.072 . . . . 0.0 111.3 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.94 -43.53 94.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 112.543 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.792 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 39.4 p90 -110.55 -29.94 7.84 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 120.921 -1.112 . . . . 0.0 110.846 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -59.86 -40.12 87.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.984 -1.072 . . . . 0.0 110.185 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.65 10.22 60.15 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.844 -1.169 . . . . 0.0 110.188 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.57 -41.67 92.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.856 -1.379 . . . . 0.0 109.627 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.474 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.8 pt-20 -161.57 164.44 29.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.263 -0.898 . . . . 0.0 109.476 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.83 -152.19 50.07 Favored Glycine 0 N--CA 1.492 2.375 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.957 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.79 132.58 36.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.907 . . . . 0.0 110.36 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.88 -39.92 79.52 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.996 0.903 . . . . 0.0 108.82 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -73.93 -19.4 60.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.878 -0.514 . . . . 0.0 112.102 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -129.34 157.73 41.1 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.925 -1.109 . . . . 0.0 110.621 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.93 139.24 50.88 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.713 -0.617 . . . . 0.0 109.72 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 29' ' ' LYS . 81.7 tttt -109.55 148.39 31.32 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.4 ptmt -39.81 -38.41 0.66 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.3 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.468 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 84.1 mt-10 -69.63 -39.22 77.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.074 -1.016 . . . . 0.0 108.553 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.0 -39.7 93.15 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.384 -0.822 . . . . 0.0 109.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -54.59 -40.05 68.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.032 . . . . 0.0 108.28 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 38' ' ' ASN . 53.6 tp10 -70.15 -39.74 75.16 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.792 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.2 tp -59.75 -51.75 68.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.306 -0.871 . . . . 0.0 110.078 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.08 -41.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.511 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' OG ' ' B' ' 41' ' ' SER . 18.5 t30 -78.62 -22.11 47.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.982 -1.074 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 34' ' ' GLU . 19.6 t-20 -86.38 -27.57 24.14 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.883 -1.136 . . . . 0.0 110.335 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.547 ' OE2' HG13 ' B' ' 13' ' ' VAL . 98.2 mt-10 -108.7 -34.21 6.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.936 -1.103 . . . . 0.0 109.458 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.447 HD13 HD12 ' B' ' 44' ' ' LEU . 16.6 mt -114.69 52.08 0.86 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 10.6 m -60.31 -62.3 1.97 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.079 -1.013 . . . . 0.0 109.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -129.55 -5.65 4.71 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.417 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 52.0 t80 -60.15 -41.17 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.447 HD12 HD13 ' B' ' 40' ' ' LEU . 78.4 mt -128.0 -98.19 0.38 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.438 -0.789 . . . . 0.0 109.224 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -93.8 141.31 28.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.443 -0.786 . . . . 0.0 109.36 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 88.5 tt0 -100.58 117.87 35.58 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -90.41 109.33 20.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-O 122.151 0.977 . . . . 0.0 109.778 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 -13.23 8.28 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.22 144.21 49.11 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.667 0.746 . . . . 0.0 110.369 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.39 -20.51 63.81 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.43 -42.34 95.84 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.79 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' B' ' 56' ' ' VAL . 10.5 t -61.45 -50.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.9 t -60.22 -43.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.121 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -62.26 -47.37 84.64 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.517 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -70.05 -37.37 75.51 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.411 0.624 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' B' ' 52' ' ' VAL . 38.9 t -77.58 -30.52 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.49 ' N ' ' O ' ' B' ' 53' ' ' VAL . 2.8 tpt -69.93 -40.78 75.31 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.55 -27.89 68.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -27.31 66.54 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.519 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.98 -45.21 4.22 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 51.2 t0 -82.59 59.04 4.48 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.02 0.73 1.13 Allowed 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 61' ' ' ASP . 86.8 m-20 -88.27 -33.05 18.2 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.1 12.43 83.3 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 47.2 p-10 -81.98 6.9 14.61 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.53 37.83 90.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 76.6 tt0 -146.7 152.32 38.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -1.156 . . . . 0.0 111.239 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -131.33 111.72 12.12 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.61 165.2 23.16 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.94 -1.1 . . . . 0.0 109.992 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.1 p90 -51.62 -42.02 61.7 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 109.123 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 66.6 tt0 -62.9 -41.31 99.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.256 -0.903 . . . . 0.0 108.984 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.26 -40.04 74.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.965 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -65.49 -38.47 89.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.939 -1.101 . . . . 0.0 108.748 179.269 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.2 tpt -60.05 -32.68 71.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.447 -0.783 . . . . 0.0 108.983 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.53 -29.71 67.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.982 -1.074 . . . . 0.0 109.864 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.8 -42.21 83.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -44.92 96.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -60.29 -44.75 95.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 ttp -60.93 -46.98 88.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.555 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 t -78.83 -28.87 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.923 -1.111 . . . . 0.0 109.574 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.4 m -64.79 -39.95 94.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.068 -1.02 . . . . 0.0 108.978 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.4 p -66.92 -39.17 87.29 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.567 -0.708 . . . . 0.0 110.008 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.72 90.41 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.428 -0.795 . . . . 0.0 109.571 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.66 -44.49 96.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.028 -1.045 . . . . 0.0 109.083 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -61.61 -39.82 92.61 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.611 0.719 . . . . 0.0 109.279 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.93 -39.69 86.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.646 -0.659 . . . . 0.0 109.892 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.297 -1.717 0 C-N-CA 118.914 -1.114 . . . . 0.0 108.585 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.32 -37.34 83.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.469 -0.769 . . . . 0.0 109.104 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -45.99 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.955 . . . . 0.0 110.103 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.302 -1.491 0 O-C-N 120.772 -1.205 . . . . 0.0 108.669 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.8 -37.67 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.55 -46.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -39.7 87.43 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.839 -1.163 . . . . 0.0 108.665 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.338 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.16 -39.92 86.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.6 -25.02 1.53 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.891 -1.13 . . . . 0.0 108.658 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.28 -49.72 76.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 109.638 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 19.4 pttt -69.98 -29.99 67.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 109.591 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -77.87 -39.97 41.6 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.445 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtp -60.0 -43.08 95.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.601 -1.312 . . . . 0.0 110.073 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 m -60.76 -39.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.945 -1.097 . . . . 0.0 108.447 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.34 93.4 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.588 -0.695 . . . . 0.0 109.795 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.94 -45.21 93.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.66 -40.0 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.269 -0.894 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.88 -40.01 72.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.02 -1.05 . . . . 0.0 110.16 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.04 -35.16 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.65 -50.03 74.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.182 -0.949 . . . . 0.0 110.297 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.11 -23.15 48.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.131 -0.981 . . . . 0.0 110.836 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.173 -0.955 . . . . 0.0 111.714 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 44.0 p90 -108.12 -31.4 7.94 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.839 -1.163 . . . . 0.0 110.964 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -61.82 -40.01 93.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.107 -0.995 . . . . 0.0 111.572 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.84 6.45 62.14 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.957 -1.089 . . . . 0.0 111.697 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -69.92 -40.09 75.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.391 -1.652 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 15.2 pt-20 -156.44 160.0 39.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.925 -1.109 . . . . 0.0 109.789 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.12 -167.48 39.28 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.46 136.43 34.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -1.17 . . . . 0.0 109.346 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -74.32 -10.75 59.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.278 -0.889 . . . . 0.0 109.449 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.99 -30.31 62.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.326 -0.859 . . . . 0.0 109.208 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -129.5 158.94 37.83 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.594 -0.691 . . . . 0.0 109.794 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD23 ' OE1' ' A' ' 31' ' ' GLU . 75.2 mt -120.41 127.92 52.72 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.783 -0.573 . . . . 0.0 109.841 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 29' ' ' LYS . 57.7 tttp -99.32 160.1 14.52 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' LYS . 81.5 mttt -39.96 -44.43 1.7 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.675 -0.64 . . . . 0.0 110.573 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -60.09 -42.46 94.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.029 . . . . 0.0 110.811 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' OE1' HD23 ' A' ' 27' ' ' LEU . 80.5 mt-10 -69.98 -39.99 75.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.703 -1.248 . . . . 0.0 109.271 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.32 -38.84 91.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.024 -1.048 . . . . 0.0 108.562 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -57.3 -39.98 76.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 51.6 tp10 -68.61 -40.06 80.58 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 18.0 tp -59.99 -50.49 73.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 109.993 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.527 -0.733 . . . . 0.0 109.893 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.94 -24.27 44.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.918 -1.114 . . . . 0.0 110.72 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 20.4 t-20 -86.51 -45.94 10.63 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.99 -42.76 18.92 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.894 -1.128 . . . . 0.0 108.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -108.92 67.26 0.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -74.25 -68.13 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.046 . . . . 0.0 109.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.77 -19.52 6.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.585 -0.697 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.07 -40.02 88.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 108.707 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.02 -153.66 0.58 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -49.19 133.31 19.2 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.17 -0.956 . . . . 0.0 109.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -102.54 141.44 35.35 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 52' ' ' VAL . 42.4 mm -114.12 114.62 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.527 0.68 . . . . 0.0 110.246 -177.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -122.61 -11.59 8.23 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -122.91 152.03 41.2 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.0 pt20 -74.38 -21.48 59.64 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -43.81 94.93 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.8 t -60.41 -49.5 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 t -60.95 -41.49 89.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.502 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.2 t0 -68.8 -42.25 77.56 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.204 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.62 -39.19 77.33 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 52' ' ' VAL . 48.6 t -70.03 -35.89 66.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 42.3 mmm -70.99 -39.98 72.13 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.25 -30.5 69.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 50.6 m -67.19 -39.95 86.45 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.974 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -105.87 -53.38 2.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.226 -0.921 . . . . 0.0 108.902 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -81.18 56.45 2.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.79 2.09 2.82 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.6 m-20 -74.61 -35.69 62.96 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 11.28 84.48 Favored Glycine 0 N--CA 1.482 1.744 0 N-CA-C 106.587 -2.605 . . . . 0.0 106.587 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -75.56 0.95 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.17 30.89 77.7 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 107.902 -2.079 . . . . 0.0 107.902 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.74 149.64 35.91 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.477 -1.013 . . . . 0.0 111.462 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.78 119.04 21.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 36.8 t0 -80.46 170.0 16.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.481 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 19.2 p90 -57.93 -39.39 77.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.134 -0.978 . . . . 0.0 108.413 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.1 tp-100 -60.04 -40.01 87.88 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.123 -0.985 . . . . 0.0 108.441 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.25 -39.39 92.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.005 -1.059 . . . . 0.0 108.99 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 109.078 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' B' ' 81' ' ' THR . 7.0 mmt -59.66 -38.81 82.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.28 -0.888 . . . . 0.0 109.446 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.1 68.44 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.933 -1.104 . . . . 0.0 110.435 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.0 t80 -59.94 -43.46 94.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.787 -1.196 . . . . 0.0 108.727 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -59.97 -42.02 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.39 -40.12 89.74 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.304 0.574 . . . . 0.0 109.553 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.469 ' HB3' HG23 ' X' ' 10' ' ' ILE . 30.4 mtm -64.52 -45.61 86.45 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.55 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 76' ' ' PHE . 1.1 t -80.16 -30.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.6 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' B' ' 74' ' ' MET . 94.9 m -69.7 -38.42 76.95 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.474 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -75.26 -41.33 57.61 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.925 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.1 96.95 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.077 -1.014 . . . . 0.0 109.923 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 26.7 m -67.45 -40.48 85.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.162 -0.962 . . . . 0.0 109.242 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -62.57 -40.05 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.406 -0.809 . . . . 0.0 110.658 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.0 -25.6 67.15 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.382 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 O-C-N 120.737 -1.227 . . . . 0.0 110.086 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.66 -39.64 84.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 110.605 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.88 -24.86 1.61 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 108.582 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.12 -49.99 75.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.468 -0.77 . . . . 0.0 109.674 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 19.5 pttt -69.99 -30.02 67.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -77.81 -39.97 42.0 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 110.423 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtp -59.99 -43.16 95.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.65 -1.281 . . . . 0.0 109.999 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 m -60.73 -39.99 83.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.011 -1.056 . . . . 0.0 108.458 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.8 -43.26 93.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.671 -0.643 . . . . 0.0 109.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.07 -45.11 93.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.067 -1.021 . . . . 0.0 108.952 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -40.04 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.391 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.96 -39.99 72.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.033 -1.042 . . . . 0.0 110.106 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 9' ' ' ALA . 49.2 t -59.99 -35.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.59 -49.95 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.198 -0.938 . . . . 0.0 110.382 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.17 -23.16 47.77 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.158 -0.964 . . . . 0.0 110.805 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 111.754 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 44.2 p90 -108.17 -31.45 7.9 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 120.884 -1.135 . . . . 0.0 110.911 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.9 t -61.81 -39.98 93.68 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.112 -0.993 . . . . 0.0 111.637 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 6.58 61.9 Favored Glycine 0 N--CA 1.495 2.621 0 C-N-CA 120.059 -1.067 . . . . 0.0 111.686 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -70.02 -40.03 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.535 -1.568 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 15.3 pt-20 -156.53 160.02 39.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.777 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.02 -167.49 38.89 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.4 136.4 34.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -1.164 . . . . 0.0 109.323 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -74.33 -10.8 59.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.43 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.8 -30.41 62.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.343 -0.848 . . . . 0.0 109.215 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -129.57 158.83 38.19 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.591 -0.693 . . . . 0.0 109.825 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.502 HD23 ' OE1' ' B' ' 31' ' ' GLU . 73.0 mt -120.35 127.96 52.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.815 -0.553 . . . . 0.0 109.832 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 29' ' ' LYS . 57.2 tttp -99.3 159.98 14.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 82.2 mttt -39.79 -44.51 1.61 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.644 -0.66 . . . . 0.0 110.554 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 66.4 m -60.04 -42.58 94.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.815 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.502 ' OE1' HD23 ' B' ' 27' ' ' LEU . 80.4 mt-10 -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.742 -1.224 . . . . 0.0 109.24 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.28 -38.87 91.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.014 -1.054 . . . . 0.0 108.6 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -57.19 -39.91 76.33 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 38' ' ' ASN . 51.6 tp10 -68.79 -40.05 79.85 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.685 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.4 tp -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.267 -0.895 . . . . 0.0 110.047 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.95 -40.04 78.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.501 -0.749 . . . . 0.0 109.838 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.97 -24.3 43.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.993 -1.067 . . . . 0.0 110.695 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' B' ' 34' ' ' GLU . 20.4 t-20 -86.44 -45.91 10.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.906 -1.121 . . . . 0.0 110.236 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -82.07 -42.42 19.23 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.848 -1.158 . . . . 0.0 108.985 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.3 67.39 0.65 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -74.25 -68.33 0.54 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.054 -1.029 . . . . 0.0 109.676 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.7 -19.55 6.78 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 109.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 108.715 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.97 -153.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -49.22 133.51 19.11 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.152 -0.968 . . . . 0.0 109.975 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.68 141.47 35.44 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.431 ' CD1' HG11 ' B' ' 52' ' ' VAL . 42.6 mm -114.19 114.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 CA-C-O 121.59 0.71 . . . . 0.0 110.264 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.59 -11.68 8.23 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -122.78 152.16 40.92 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.514 0.673 . . . . 0.0 110.839 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' B' ' 54' ' ' ASP . 13.9 pt20 -74.68 -21.45 59.39 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.7 pt-20 -60.05 -43.76 95.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.635 -0.665 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 47' ' ' ILE . 26.1 t -60.36 -49.5 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.2 t0 -68.75 -42.17 77.9 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.229 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -69.71 -39.15 77.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.0 t -70.04 -35.86 65.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 42.3 mmm -70.95 -40.02 72.24 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.31 -30.49 69.53 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.1 m -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.96 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.9 -53.35 2.66 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.264 -0.897 . . . . 0.0 108.93 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -81.25 56.41 2.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -68.82 2.12 2.82 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.6 m-20 -74.55 -35.87 63.11 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.3 11.34 84.38 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 106.599 -2.601 . . . . 0.0 106.599 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -75.68 1.06 15.57 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.01 31.04 78.25 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -144.78 149.79 36.09 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.488 -1.007 . . . . 0.0 111.378 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 118.9 21.47 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.512 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 36.7 t0 -80.27 169.96 17.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.032 -1.043 . . . . 0.0 109.514 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 19.2 p90 -58.0 -39.25 77.78 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 6.1 tp-100 -60.0 -40.01 87.77 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.151 -0.968 . . . . 0.0 108.504 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.32 -39.31 92.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.06 -1.025 . . . . 0.0 108.939 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.07 -36.89 78.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.449 -0.782 . . . . 0.0 109.08 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' A' ' 81' ' ' THR . 6.9 mmt -59.62 -38.68 81.99 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.468 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.81 -28.85 67.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.913 -1.117 . . . . 0.0 110.466 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.431 ' O ' HG23 ' B' ' 80' ' ' VAL . 47.2 t80 -60.01 -43.49 95.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.735 -1.228 . . . . 0.0 108.609 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -60.03 -42.0 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -60.16 -39.99 88.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.296 0.569 . . . . 0.0 109.635 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.411 ' HB3' HG23 ' Y' ' 10' ' ' ILE . 29.9 mtm -64.83 -45.56 85.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.461 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 76' ' ' PHE . 1.1 t -80.23 -29.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 C-N-CA 118.859 -1.137 . . . . 0.0 109.587 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' A' ' 74' ' ' MET . 98.1 m -69.7 -38.44 76.95 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.385 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 p -75.21 -41.35 57.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.016 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.88 96.81 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.0 -1.062 . . . . 0.0 109.882 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 22.8 m -67.53 -40.43 85.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.265 -0.897 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.67 -39.99 95.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.453 -0.779 . . . . 0.0 110.664 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.07 -25.59 67.1 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.226 -0.921 . . . . 0.0 111.381 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 O-C-N 120.799 -1.188 . . . . 0.0 110.038 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.02 -36.23 76.79 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 79' ' ' MET . 81.9 mt -59.98 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.852 . . . . 0.0 110.056 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 10.0 mp . . . . . 0 N--CA 1.489 1.483 0 O-C-N 120.845 -1.16 . . . . 0.0 108.6 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.01 -36.13 76.54 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' B' ' 79' ' ' MET . 81.0 mt -60.07 -39.91 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.023 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.77 -38.99 83.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.845 -1.159 . . . . 0.0 108.761 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.562 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.221 0.534 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.26 -40.02 78.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.121 -0.987 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.98 -21.9 61.83 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.014 -1.054 . . . . 0.0 110.333 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -59.92 -45.9 91.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.862 -1.149 . . . . 0.0 109.792 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 8.4 ptmt -70.09 -31.64 69.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.855 -1.153 . . . . 0.0 109.544 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -73.86 -39.05 64.24 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.216 -0.927 . . . . 0.0 110.442 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.4 tpp -59.98 -46.25 90.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 110.131 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.96 -40.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.592 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.32 95.3 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.733 -0.604 . . . . 0.0 109.811 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.54 -40.71 93.21 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 109.067 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.35 -43.09 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.185 -0.947 . . . . 0.0 109.023 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -71.02 -40.02 72.0 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 109.586 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.98 -32.66 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.06 -46.3 89.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -71.73 -31.59 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 111.809 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.99 -42.71 94.82 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.761 -1.212 . . . . 0.0 111.688 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.48 -30.9 12.63 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.785 -1.197 . . . . 0.0 110.331 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.5 t -60.57 -40.0 90.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.84 14.81 57.68 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -60.06 -40.16 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.236 . . . . 0.0 109.308 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -167.63 97.28 0.47 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.4 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.38 -160.55 0.59 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.0 m-20 50.1 40.57 21.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.168 -1.196 . . . . 0.0 109.417 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -38.1 89.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.868 . . . . 0.0 109.821 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.71 -39.79 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.577 -0.702 . . . . 0.0 111.125 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' ASP . 57.7 mttm -128.99 162.25 28.03 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.101 -0.999 . . . . 0.0 110.568 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.7 mt -104.98 124.07 48.87 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.442 -0.786 . . . . 0.0 110.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -84.92 157.31 20.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -50.82 -39.94 54.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.004 -1.06 . . . . 0.0 109.552 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -42.43 94.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.21 -40.0 82.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.408 -0.808 . . . . 0.0 109.111 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.97 -39.12 88.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 108.882 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.14 -39.94 82.57 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.821 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 73' ' ' PHE . 21.3 tp -60.02 -50.24 74.51 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.557 -0.715 . . . . 0.0 110.483 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 HD11 ' A' ' 47' ' ' ILE . 63.8 mt -70.51 -39.99 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.027 -1.045 . . . . 0.0 110.322 -178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -80.5 -24.0 39.73 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.864 -1.147 . . . . 0.0 111.553 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -89.52 -26.16 21.02 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.827 -1.171 . . . . 0.0 111.242 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -97.21 -27.82 14.36 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.796 -1.19 . . . . 0.0 108.51 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' GLU . 33.3 mt -117.53 71.41 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -52.74 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.93 -1.106 . . . . 0.0 109.706 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.87 11.59 6.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.476 -0.765 . . . . 0.0 109.428 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.66 -8.09 53.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.274 -0.891 . . . . 0.0 109.983 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.28 -67.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 109.373 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 40' ' ' LEU . 92.0 mt-10 -120.72 138.54 53.92 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.638 -0.664 . . . . 0.0 110.911 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 47' ' ' ILE . 87.8 tt0 -118.98 122.63 42.65 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -109.76 120.2 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 122.211 1.005 . . . . 0.0 109.917 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -135.71 -9.99 2.11 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.29 147.05 48.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.62 -0.675 . . . . 0.0 110.427 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.5 pt20 -73.75 -18.82 60.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.694 -0.629 . . . . 0.0 110.342 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 37.8 t -65.57 -49.85 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -60.27 -40.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.417 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 56.6 t0 -68.18 -43.51 77.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.439 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.94 -36.72 75.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.907 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.6 t -69.68 -34.98 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.4 mmt -60.96 -40.0 91.68 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.52 -29.88 69.39 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.5 m -71.74 -40.02 69.67 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 76' ' ' PHE . 6.7 mp -101.38 -56.71 2.24 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.299 -0.876 . . . . 0.0 108.688 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.7 t0 -78.71 55.26 1.65 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.43 2.67 2.18 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' ASP . 75.6 m-20 -84.21 -31.66 24.94 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 10.06 78.71 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 51.1 p30 -84.47 2.0 42.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.22 33.2 84.45 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -141.82 152.74 43.96 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.391 -1.064 . . . . 0.0 111.12 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 119.56 24.74 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' HZ2' ' A' ' 26' ' ' LYS . 75.3 m-20 -79.01 169.82 17.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.396 -0.815 . . . . 0.0 109.379 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -58.15 -40.0 80.24 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.3 tt0 -60.81 -40.11 91.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 44.0 mt-10 -64.69 -39.97 94.59 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.456 -0.778 . . . . 0.0 109.369 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 35' ' ' LEU . 2.5 t80 -59.94 -39.94 87.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.4 -0.813 . . . . 0.0 109.614 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.9 mmm -60.02 -37.02 78.52 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.66 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.71 76.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.026 -1.047 . . . . 0.0 110.674 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 60' ' ' LEU . 66.2 t80 -59.96 -40.03 87.64 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 109.313 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.89 -44.27 97.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 108.873 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -60.07 -40.62 90.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.496 -0.752 . . . . 0.0 109.679 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.3 ttp -65.36 -43.56 90.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.35 -0.844 . . . . 0.0 110.195 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.1 t -80.39 -29.61 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.041 -1.037 . . . . 0.0 109.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.99 -40.05 94.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.197 -0.94 . . . . 0.0 108.857 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 p -71.52 -42.66 67.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.644 -0.66 . . . . 0.0 110.859 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.08 67.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.822 -1.173 . . . . 0.0 109.838 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 -49.64 76.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.34 -45.79 92.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.17 -40.2 89.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.0 108.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.637 -0.664 . . . . 0.0 109.787 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.75 -39.95 76.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.201 -0.937 . . . . 0.0 109.582 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.16 -21.83 62.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 0.0 110.31 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.9 -46.07 90.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.923 -1.11 . . . . 0.0 109.741 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.2 ptmt -70.0 -31.63 69.41 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.969 -1.082 . . . . 0.0 109.537 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -73.84 -39.32 64.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 110.403 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.1 tpp -60.03 -46.02 90.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.068 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -60.01 -39.94 81.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 108.604 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.33 95.14 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.689 -0.632 . . . . 0.0 109.8 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.58 -40.56 92.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.085 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.68 -42.65 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 109.031 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -71.25 -40.02 71.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.531 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.0 -32.77 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.583 -0.698 . . . . 0.0 109.391 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -71.47 -31.82 67.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 111.846 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.96 -42.55 94.35 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.765 -1.209 . . . . 0.0 111.732 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -97.62 -30.72 12.68 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.791 -1.193 . . . . 0.0 110.286 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -60.75 -39.97 90.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.87 14.72 57.94 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -59.95 -40.14 87.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.058 -1.26 . . . . 0.0 109.263 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.61 97.5 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.448 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 -160.95 0.48 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 50.54 40.49 23.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -1.169 . . . . 0.0 109.351 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.85 -37.96 89.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.77 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.79 -39.82 72.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.633 -0.667 . . . . 0.0 111.239 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 69' ' ' ASP . 58.1 mttm -128.89 162.03 28.47 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.111 -0.993 . . . . 0.0 110.473 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.87 124.21 49.07 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.45 -0.781 . . . . 0.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -85.02 156.9 20.91 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.115 -0.991 . . . . 0.0 108.44 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.61 -40.01 51.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.937 -1.102 . . . . 0.0 109.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 43.7 t -60.05 -41.85 93.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.84 -1.163 . . . . 0.0 109.135 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.58 -39.98 80.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.374 -0.829 . . . . 0.0 109.047 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.2 -38.97 88.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.177 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -56.12 -39.92 72.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 108.98 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.05 -40.03 82.91 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.321 -0.952 . . . . 0.0 108.832 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' B' ' 73' ' ' PHE . 20.9 tp -60.0 -49.91 75.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.537 -0.727 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.526 HG22 HD11 ' B' ' 47' ' ' ILE . 61.0 mt -70.85 -40.0 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.057 -1.027 . . . . 0.0 110.339 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.38 -23.99 40.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.81 -1.181 . . . . 0.0 111.428 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -89.63 -25.95 21.01 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.813 -1.179 . . . . 0.0 111.304 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -97.4 -27.99 14.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.774 -1.204 . . . . 0.0 108.446 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 45' ' ' GLU . 33.3 mt -117.21 71.37 0.8 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -52.84 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.142 . . . . 0.0 109.763 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -128.69 11.05 6.15 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.507 -0.745 . . . . 0.0 109.461 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.02 -8.28 54.35 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.902 . . . . 0.0 110.062 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.13 -67.88 0.2 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.046 -1.034 . . . . 0.0 109.298 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 90.2 mt-10 -120.66 138.77 53.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.657 -0.652 . . . . 0.0 110.95 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.541 ' C ' HD13 ' B' ' 47' ' ' ILE . 88.2 tt0 -119.29 122.73 42.56 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.541 HD13 ' C ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -109.95 120.07 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 122.25 1.024 . . . . 0.0 109.762 -178.046 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -135.5 -10.23 2.16 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.21 147.31 48.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.618 -0.676 . . . . 0.0 110.417 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -74.02 -18.79 60.8 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.708 -0.62 . . . . 0.0 110.213 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.412 ' O ' HG23 ' B' ' 56' ' ' VAL . 38.9 t -65.52 -49.98 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.28 -40.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.374 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -68.04 -43.4 78.82 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.03 -36.91 75.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.327 -0.858 . . . . 0.0 108.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 52' ' ' VAL . 45.4 t -69.45 -34.97 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.5 mmt -61.0 -39.96 91.7 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -60.69 -29.48 69.35 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.1 m -72.02 -40.0 68.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 6.7 mp -101.32 -56.82 2.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.281 -0.887 . . . . 0.0 108.64 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 25.5 t0 -78.42 55.2 1.55 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.42 2.51 2.29 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' B' ' 61' ' ' ASP . 75.4 m-20 -83.84 -31.75 25.63 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.27 78.09 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.744 -2.142 . . . . 0.0 107.744 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.5 p30 -84.8 2.09 43.83 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.04 33.24 84.89 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -141.56 153.01 44.57 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.399 -1.059 . . . . 0.0 111.01 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.07 119.26 23.89 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 75.9 m-20 -78.84 169.92 17.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.438 -0.789 . . . . 0.0 109.383 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 25.4 p90 -58.57 -39.97 81.77 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.4 tt0 -60.72 -40.01 90.75 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 43.3 mt-10 -64.64 -39.99 94.67 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 109.492 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.436 ' CE1' HD21 ' B' ' 35' ' ' LEU . 2.4 t80 -59.95 -39.87 87.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.384 -0.822 . . . . 0.0 109.6 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.5 mmm -60.04 -37.49 79.97 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.18 -33.87 77.03 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.996 -1.065 . . . . 0.0 110.756 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.897 -1.127 . . . . 0.0 109.246 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.86 -44.32 97.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.362 -0.836 . . . . 0.0 108.848 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 81.9 p -60.02 -41.2 91.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.502 -0.749 . . . . 0.0 109.756 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.2 ttp -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.296 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' B' ' 76' ' ' PHE . 16.8 t -80.66 -29.27 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.032 -1.043 . . . . 0.0 109.265 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -65.05 -39.97 94.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.222 -0.924 . . . . 0.0 108.822 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.9 p -71.59 -42.88 67.2 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.887 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.1 67.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.841 -1.162 . . . . 0.0 109.857 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.71 -49.46 76.36 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.215 -0.928 . . . . 0.0 109.146 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.26 -45.88 91.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 0.0 109.627 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.14 -40.15 88.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 108.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--N 1.301 -1.507 0 O-C-N 121.691 -0.631 . . . . 0.0 109.814 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.98 -49.62 76.95 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.706 -1.247 . . . . 0.0 110.158 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.92 -40.18 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.907 -1.121 . . . . 0.0 109.964 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.221 -0.924 . . . . 0.0 109.356 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -59.99 -49.49 77.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 110.195 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.73 -40.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.956 -1.09 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.96 -40.02 87.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.728 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.551 -179.692 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 1' ' ' SER . 12.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.05 -39.95 75.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.159 -0.963 . . . . 0.0 110.495 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.0 -23.66 66.61 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.808 -1.182 . . . . 0.0 110.357 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.5 tt0 -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.926 -1.109 . . . . 0.0 110.146 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -36.12 63.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.888 -1.133 . . . . 0.0 109.319 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.33 93.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.3 ttm -60.03 -40.23 88.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.239 -0.913 . . . . 0.0 109.825 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.98 -40.21 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.98 -47.52 85.46 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.528 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.21 -42.15 94.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.972 -1.08 . . . . 0.0 109.424 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.48 -44.0 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.95 -1.094 . . . . 0.0 109.49 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -70.02 -40.03 75.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.792 -1.192 . . . . 0.0 109.747 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ALA . 50.1 t -58.98 -32.79 48.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.02 -49.74 76.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.013 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.16 -35.23 73.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.768 -0.582 . . . . 0.0 112.371 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -59.96 -47.94 83.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.669 -1.27 . . . . 0.0 111.946 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -92.22 -35.97 13.52 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.683 -1.261 . . . . 0.0 110.711 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.0 p -63.58 -40.06 96.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.847 -1.158 . . . . 0.0 110.12 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.44 -2.6 82.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.38 -40.07 89.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.952 -1.322 . . . . 0.0 109.559 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.6 tt0 -152.23 149.3 28.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.203 -0.936 . . . . 0.0 109.194 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.0 -159.48 53.37 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.56 141.6 34.93 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.4 -1.059 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -79.99 -10.74 59.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.366 -0.833 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -73.51 -36.78 65.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.079 -1.013 . . . . 0.0 110.558 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.64 157.91 40.79 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.198 -0.939 . . . . 0.0 109.824 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.18 138.06 37.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.378 -0.826 . . . . 0.0 109.327 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 34.9 ttpt -107.55 151.44 25.59 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 13.4 ptpt -39.85 -44.45 1.63 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.46 -0.775 . . . . 0.0 110.567 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -61.76 -40.37 94.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.969 -1.082 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 63.8 mt-10 -70.03 -40.01 75.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.649 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.35 -40.06 95.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 109.081 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -55.14 -39.98 70.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.059 -1.026 . . . . 0.0 108.69 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -68.18 -39.98 82.39 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.4 -0.813 . . . . 0.0 108.835 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.02 -49.97 75.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.73 -0.607 . . . . 0.0 110.206 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.83 -39.96 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.206 -0.934 . . . . 0.0 110.415 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -80.91 -25.53 37.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.943 -1.098 . . . . 0.0 111.434 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -89.47 -29.23 19.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.47 -1.394 . . . . 0.0 111.417 -178.21 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' HD23 ' A' ' 40' ' ' LEU . 76.0 mm-40 -101.23 -16.34 17.02 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.896 -1.128 . . . . 0.0 111.326 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.745 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -161.98 64.35 0.24 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.555 -1.341 . . . . 0.0 110.596 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.82 -68.94 0.62 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.03 -1.044 . . . . 0.0 109.984 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p-80 -91.32 -9.42 45.02 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.17 -0.956 . . . . 0.0 109.868 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.1 m-85 -69.22 -39.88 78.3 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.135 -0.978 . . . . 0.0 108.428 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -129.04 -98.88 0.35 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -99.1 133.12 43.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.496 -0.752 . . . . 0.0 109.475 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.64 121.5 34.13 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.479 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.7 mm -96.71 113.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 122.096 0.95 . . . . 0.0 110.007 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.599 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -130.08 -8.84 4.34 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -122.15 152.06 40.3 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.379 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -75.7 -21.07 57.91 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 9.8 pt-20 -60.08 -42.85 95.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.488 -0.757 . . . . 0.0 110.045 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 47' ' ' ILE . 19.1 t -62.51 -49.99 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.72 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.565 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.75 -42.69 81.38 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 118.394 -1.322 . . . . 0.0 109.04 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -70.58 -40.0 73.55 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.98 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.9 -35.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 CA-C-O 121.432 0.634 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.8 tpt -72.01 -43.75 64.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.1 -31.0 69.63 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.9 m -65.01 -33.68 76.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.807 -0.558 . . . . 0.0 110.407 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.546 HD21 ' SD ' ' A' ' 79' ' ' MET . 4.0 mm? -103.85 -36.61 7.75 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 65.9 t0 -81.94 54.06 2.36 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.19 -3.79 4.31 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.7 m-20 -75.59 -35.96 60.43 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.96 82.31 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -82.49 1.17 39.03 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 70.04 28.96 71.02 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.56 -1.816 . . . . 0.0 108.56 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.3 mt-10 -145.39 158.59 43.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.307 -1.113 . . . . 0.0 110.273 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 119.98 23.21 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.03 170.02 17.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -0.765 . . . . 0.0 109.983 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.6 p90 -55.88 -40.66 73.28 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 63.5 tt0 -60.02 -42.87 95.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 108.558 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 60' ' ' LEU . 48.2 mt-10 -66.42 -40.06 89.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.449 -0.782 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 2.1 t80 -59.98 -37.29 79.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.83 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 mmt -60.01 -39.41 85.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.193 -0.942 . . . . 0.0 109.512 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.08 69.14 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.991 -1.068 . . . . 0.0 110.19 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.92 -1.113 . . . . 0.0 108.674 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -65.49 -41.12 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.8 m -59.93 -45.61 92.05 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.405 0.622 . . . . 0.0 109.658 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.546 ' SD ' HD21 ' A' ' 60' ' ' LEU . 45.3 mtp -61.15 -46.23 91.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.235 -0.916 . . . . 0.0 110.315 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -81.37 -30.47 11.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.463 -0.773 . . . . 0.0 109.919 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' VAL . 86.8 m -70.06 -39.94 75.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.19 -0.944 . . . . 0.0 108.597 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.6 m -70.5 -39.99 73.82 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.974 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.03 86.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.858 -1.152 . . . . 0.0 109.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.8 t -63.29 -41.9 99.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.294 -0.879 . . . . 0.0 109.591 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.92 -44.76 94.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.283 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -40.0 96.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.157 -0.964 . . . . 0.0 109.587 -179.569 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' B' ' 1' ' ' SER . 10.7 t . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.04 -40.02 75.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.002 . . . . 0.0 110.433 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.232 . . . . 0.0 110.339 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.462 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.02 -50.52 73.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.853 -1.154 . . . . 0.0 110.011 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -36.29 65.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.922 -1.111 . . . . 0.0 109.437 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.91 93.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.04 -1.037 . . . . 0.0 109.4 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.0 ttm -60.01 -40.31 88.79 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.442 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.02 -47.14 87.09 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.604 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.99 -41.74 97.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.409 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -44.07 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 0.0 109.404 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.03 -39.96 75.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.775 -1.203 . . . . 0.0 109.729 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 9' ' ' ALA . 48.4 t -59.02 -32.69 48.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.01 -49.93 75.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.373 -0.829 . . . . 0.0 108.929 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.03 -35.21 74.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.0 -47.94 83.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.0 112.017 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -92.26 -35.92 13.52 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.702 -1.249 . . . . 0.0 110.699 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 76.2 p -63.55 -40.0 95.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.924 -1.11 . . . . 0.0 110.159 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.81 -2.43 81.49 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -66.33 -39.99 89.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.965 -1.315 . . . . 0.0 109.508 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.0 tt0 -152.13 149.45 28.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.207 -0.933 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.84 -159.55 53.27 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.4 141.59 35.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -1.032 . . . . 0.0 110.221 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -80.1 -10.67 59.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.315 -0.866 . . . . 0.0 110.317 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -73.44 -37.1 65.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.084 -1.01 . . . . 0.0 110.528 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.63 157.82 41.03 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.02 138.01 37.68 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 109.374 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' B' ' 29' ' ' LYS . 35.0 ttpt -107.28 151.6 25.25 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 28' ' ' LYS . 13.4 ptpt -39.92 -44.12 1.63 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.465 -0.772 . . . . 0.0 110.512 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -62.01 -40.53 95.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.986 -1.071 . . . . 0.0 110.124 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 62.8 mt-10 -70.01 -40.03 75.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.118 -0.989 . . . . 0.0 108.686 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.31 -39.97 94.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.368 -0.832 . . . . 0.0 109.118 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -55.01 -40.03 69.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.014 -1.054 . . . . 0.0 108.622 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -68.27 -40.0 81.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.97 -49.99 75.52 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -68.69 -39.98 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.001 . . . . 0.0 110.391 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -80.88 -25.45 37.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.943 -1.098 . . . . 0.0 111.431 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -89.43 -29.68 18.86 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.436 -1.415 . . . . 0.0 111.318 -178.205 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.435 ' C ' HD23 ' B' ' 40' ' ' LEU . 76.4 mm-40 -101.01 -15.84 17.33 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.919 -1.113 . . . . 0.0 111.345 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.743 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -162.38 64.02 0.22 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.45 -1.406 . . . . 0.0 110.711 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.65 -69.04 0.61 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.015 -1.053 . . . . 0.0 110.049 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.4 p-80 -91.0 -9.66 45.14 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.168 -0.957 . . . . 0.0 109.868 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 86.6 m-85 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 108.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.8 mt -129.35 -99.15 0.34 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -98.84 133.31 43.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.401 -0.812 . . . . 0.0 109.477 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.73 121.6 34.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.2 mm -96.74 113.5 31.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-O 122.104 0.954 . . . . 0.0 109.955 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.614 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -130.1 -8.57 4.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.349 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -122.43 151.92 40.77 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.644 0.735 . . . . 0.0 110.321 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -75.6 -20.97 58.21 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 9.7 pt-20 -60.19 -42.92 96.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.546 -0.721 . . . . 0.0 110.121 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' B' ' 47' ' ' ILE . 19.3 t -62.47 -49.83 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.5 t -60.83 -40.58 85.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.597 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.95 -42.53 80.8 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.366 -1.334 . . . . 0.0 108.959 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -70.66 -39.99 73.26 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.96 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -74.87 -35.33 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 121.46 0.647 . . . . 0.0 109.318 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.483 ' O ' ' N ' ' B' ' 61' ' ' ASP . 5.8 tpt -71.99 -43.74 64.61 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -31.09 69.6 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' B' ' 60' ' ' LEU . 26.6 m -65.01 -33.71 76.69 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.739 -0.6 . . . . 0.0 110.372 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.539 HD21 ' SD ' ' B' ' 79' ' ' MET . 4.1 mm? -103.74 -36.89 7.7 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.0 t0 -81.74 53.93 2.28 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.2 -3.66 4.16 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -75.66 -35.84 60.3 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.79 82.57 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -82.56 1.27 38.84 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.87 28.98 71.24 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.4 mt-10 -145.33 158.45 43.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.303 -1.116 . . . . 0.0 110.267 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.57 120.05 23.45 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -80.01 169.98 17.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.479 -0.763 . . . . 0.0 109.979 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.5 p90 -56.09 -40.62 73.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.548 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.4 tt0 -60.02 -42.88 95.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 108.524 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 48.2 mt-10 -66.52 -39.91 88.87 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 2.1 t80 -60.03 -37.25 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.887 . . . . 0.0 109.36 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.8 mmt -59.93 -39.42 85.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.124 -0.985 . . . . 0.0 109.548 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . . . -66.47 -29.26 69.33 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.042 -1.036 . . . . 0.0 110.208 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -60.04 -41.37 92.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.916 -1.115 . . . . 0.0 108.73 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.2 OUTLIER -65.29 -41.13 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 20.4 m -59.98 -45.54 92.38 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.388 0.613 . . . . 0.0 109.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.539 ' SD ' HD21 ' B' ' 60' ' ' LEU . 49.4 mtp -61.18 -46.46 90.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.264 -0.897 . . . . 0.0 110.285 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.06 -30.58 11.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.492 -0.755 . . . . 0.0 109.935 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.506 ' N ' ' O ' ' B' ' 77' ' ' VAL . 96.2 m -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 108.649 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -70.62 -40.01 73.41 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.074 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.99 86.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.832 -1.168 . . . . 0.0 109.511 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.15 -42.02 99.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.883 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.01 -39.97 96.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -0.764 . . . . 0.0 109.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 0.0 109.641 -179.557 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.33 -39.32 92.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.94 -42.52 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.511 -0.743 . . . . 0.0 110.842 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.491 1.621 0 O-C-N 120.863 -1.148 . . . . 0.0 108.501 -179.653 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.29 -39.57 92.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.0 -42.35 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.443 -0.786 . . . . 0.0 110.858 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Y' ' 11' ' ' LEU . 1.1 mm? -60.03 -39.4 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.841 -1.162 . . . . 0.0 108.674 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.474 -179.652 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -69.68 -38.7 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 109.897 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.86 -23.6 63.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.848 -1.157 . . . . 0.0 110.489 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' B' ' 43' ' ' PHE . 86.2 tt0 -59.89 -48.79 80.26 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.74 -1.225 . . . . 0.0 110.106 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -69.75 -36.67 75.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.948 -1.095 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.06 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.318 -0.864 . . . . 0.0 110.366 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 mmm -61.43 -40.67 95.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.897 -1.127 . . . . 0.0 109.05 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.54 -40.02 83.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.04 -45.49 85.22 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.849 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.09 -44.75 94.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.981 -1.074 . . . . 0.0 109.048 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.48 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.031 -1.043 . . . . 0.0 109.335 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -64.55 -39.92 94.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.865 -1.147 . . . . 0.0 109.418 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ALA . 25.3 t -55.9 -33.83 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 83.3 t80 -59.98 -48.47 81.57 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.416 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -67.42 -33.78 75.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.68 -0.637 . . . . 0.0 111.84 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.683 -1.261 . . . . 0.0 110.518 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.3 -34.82 9.84 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.994 -1.066 . . . . 0.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -69.05 -40.05 78.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.055 -1.028 . . . . 0.0 109.682 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.18 3.22 62.76 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 55.8 ttt180 -65.4 -39.43 92.18 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.398 -1.06 . . . . 0.0 109.184 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.73 166.94 12.57 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -59.04 -39.47 94.35 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 45.4 p-10 -67.9 70.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.311 . . . . 0.0 109.662 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' GLY . 63.8 tttp -69.33 -29.85 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.798 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -71.83 -32.41 67.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.0 110.514 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -125.05 148.86 48.3 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 109.833 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.18 120.61 42.59 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.579 -0.7 . . . . 0.0 109.596 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 30.5 ttmt -82.72 152.13 25.9 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.4 ptpp? -43.06 -37.47 1.98 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.026 -1.046 . . . . 0.0 110.169 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -61.47 -40.94 96.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.858 -1.151 . . . . 0.0 109.778 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 47.8 mt-10 -70.07 -39.97 75.31 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.054 -1.029 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD22 ' SD ' ' A' ' 57' ' ' MET . 13.7 tp -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.969 -1.082 . . . . 0.0 108.276 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -57.8 -40.07 79.05 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.14 -39.92 90.2 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -58.84 -49.47 77.62 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.09 -47.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.497 -0.752 . . . . 0.0 111.115 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -73.07 -24.77 60.72 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.397 -1.44 . . . . 0.0 111.528 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -87.18 -29.71 21.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.784 -1.198 . . . . 0.0 111.221 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 40' ' ' LEU . 81.4 mm-40 -102.94 -25.01 13.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.875 -1.141 . . . . 0.0 109.848 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 39' ' ' GLU . 19.3 mt -118.34 44.29 2.27 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.76 -89.81 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.706 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -107.17 -10.24 15.91 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.339 -0.851 . . . . 0.0 110.286 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 88.3 m-85 -69.11 -32.84 72.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 108.749 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.1 -159.82 1.0 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.09 133.71 11.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.0 109.435 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -100.73 123.57 45.12 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HG11 ' A' ' 52' ' ' VAL . 48.2 mm -90.95 109.77 21.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.861 0.839 . . . . 0.0 109.683 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.25 -10.69 7.0 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.527 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.7 tp10 -124.17 135.03 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.295 0.569 . . . . 0.0 109.975 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -62.34 -23.62 66.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.325 -0.86 . . . . 0.0 109.422 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.03 -40.03 87.9 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.107 -0.995 . . . . 0.0 109.537 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 47' ' ' ILE . 47.8 t -62.4 -46.91 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 t -60.0 -42.0 88.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.769 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.63 -45.61 74.88 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.043 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.39 -39.98 81.52 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' VAL . 42.8 t -70.03 -36.83 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.4 mmm -71.27 -39.96 71.24 Favored 'General case' 0 C--O 1.199 -1.576 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 85.8 tt0 -58.42 -30.19 66.68 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.846 -1.159 . . . . 0.0 107.974 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 91.9 m -66.46 -40.02 89.15 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLU . 70.1 mt -105.81 -45.38 4.4 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.151 -0.968 . . . . 0.0 108.868 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.7 t0 -71.58 52.96 0.21 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' LEU . 73.6 mm-40 -67.08 3.79 1.06 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.743 0.782 . . . . 0.0 108.891 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 61' ' ' ASP . 90.6 m-20 -83.35 -32.08 26.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.18 10.65 83.47 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.3 p-10 -86.13 2.05 48.24 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.48 30.25 76.19 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.0 mt-10 -142.86 152.31 42.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.497 -1.002 . . . . 0.0 110.116 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.4 t -127.45 120.16 27.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.1 t70 -82.51 170.01 15.7 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.109 -0.995 . . . . 0.0 109.732 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.1 t80 -48.59 -49.4 36.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.28 -41.32 93.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.694 -0.629 . . . . 0.0 110.875 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.92 -40.0 75.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.891 -1.13 . . . . 0.0 108.938 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 t80 -69.52 -34.14 73.83 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.451 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -58.97 -34.82 72.25 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.21 -24.82 64.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.643 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 33.8 t80 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.074 . . . . 0.0 108.743 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -40.16 81.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 120.971 -1.081 . . . . 0.0 108.548 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.417 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 51.8 m -65.56 -42.13 92.19 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.538 -177.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.56 -39.89 73.69 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.439 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 t -77.44 -33.06 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.757 -1.214 . . . . 0.0 109.459 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.6 m -67.07 -39.97 86.95 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.729 -1.232 . . . . 0.0 108.311 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -69.92 -40.08 75.76 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.437 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.96 97.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.024 -1.048 . . . . 0.0 109.967 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 t -63.72 -41.72 98.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.79 -40.28 94.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -0.947 . . . . 0.0 109.168 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.79 -40.67 93.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.424 -0.797 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.298 -1.669 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.363 -179.595 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.41 -38.62 78.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.0 109.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.84 -23.72 63.34 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.875 -1.141 . . . . 0.0 110.527 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.1 tt0 -59.92 -49.18 78.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 109.951 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -69.26 -37.17 77.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 109.662 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.11 95.23 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 110.33 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.7 mmm -61.58 -40.46 94.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.796 -1.19 . . . . 0.0 109.019 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.66 -39.98 83.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.83 -45.61 85.43 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.923 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.03 -44.95 94.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.007 -1.058 . . . . 0.0 109.062 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.17 -49.4 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.03 -1.044 . . . . 0.0 109.433 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.73 -39.96 94.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.393 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 9' ' ' ALA . 29.5 t -55.84 -33.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 83.4 t80 -60.01 -48.74 80.47 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.353 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.26 -33.68 75.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.64 -0.662 . . . . 0.0 111.856 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.92 -40.05 87.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.642 -1.286 . . . . 0.0 110.585 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -100.2 -34.98 9.8 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.015 -1.053 . . . . 0.0 109.998 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -68.94 -40.07 79.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.001 -1.062 . . . . 0.0 109.707 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.16 3.32 62.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 55.5 ttt180 -65.3 -39.72 92.89 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.366 -1.079 . . . . 0.0 109.1 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -119.58 167.15 12.28 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -59.1 -39.66 94.67 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' OE1' ' B' ' 31' ' ' GLU . 45.0 p-10 -67.75 70.3 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.935 -1.332 . . . . 0.0 109.684 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 22' ' ' GLY . 64.8 tttp -69.47 -29.81 67.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 0.0 109.758 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -71.77 -32.18 67.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.624 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -125.2 149.16 48.23 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.169 -0.957 . . . . 0.0 109.773 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 54.6 mt -107.29 120.53 42.39 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.594 -0.691 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 29' ' ' LYS . 31.1 ttmt -82.61 152.27 25.99 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -43.19 -37.39 2.08 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.958 -1.089 . . . . 0.0 110.161 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 m -61.35 -40.87 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 47.7 mt-10 -70.06 -40.23 75.2 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.983 -1.073 . . . . 0.0 110.002 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' B' ' 57' ' ' MET . 13.3 tp -69.97 -31.57 69.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.941 -1.1 . . . . 0.0 108.401 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -57.57 -40.01 78.02 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.51 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 79.2 mm-40 -66.02 -39.98 90.7 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.701 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -58.95 -49.56 77.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.0 -47.3 69.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.507 -0.746 . . . . 0.0 111.136 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -72.78 -24.92 61.0 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.499 -1.376 . . . . 0.0 111.503 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -87.12 -29.87 21.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 -177.618 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 40' ' ' LEU . 81.3 mm-40 -102.79 -24.86 13.69 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.898 -1.126 . . . . 0.0 109.921 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' B' ' 39' ' ' GLU . 19.3 mt -118.45 44.42 2.26 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.7 m -52.79 -89.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.616 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -107.21 -10.28 15.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.446 -0.784 . . . . 0.0 110.304 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 88.8 m-85 -69.06 -32.81 72.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 108.757 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.22 -159.94 1.01 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.83 133.7 10.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.03 -1.044 . . . . 0.0 109.472 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.86 123.81 45.6 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' B' ' 52' ' ' VAL . 46.9 mm -90.97 109.79 21.48 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-O 121.954 0.883 . . . . 0.0 109.728 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.41 -10.48 6.9 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.2 tp10 -124.3 134.88 53.07 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.227 0.537 . . . . 0.0 109.976 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -62.15 -23.6 66.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.404 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 pp20? -60.04 -40.17 88.46 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.154 -0.966 . . . . 0.0 109.605 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.511 HG11 ' CD1' ' B' ' 47' ' ' ILE . 45.9 t -62.27 -46.93 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.01 -41.6 86.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.8 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.0 -45.57 73.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 118.779 -1.168 . . . . 0.0 109.041 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.51 -39.91 81.05 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -69.98 -36.84 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.5 mmm -71.33 -39.98 71.03 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.435 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.1 tt0 -58.59 -30.02 66.89 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 91.3 m -66.58 -39.89 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.295 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 62' ' ' GLU . 69.3 mt -105.84 -45.55 4.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.126 -0.984 . . . . 0.0 108.725 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.4 t0 -71.43 52.95 0.2 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 60' ' ' LEU . 74.0 mm-40 -67.1 3.88 1.04 Allowed 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 61' ' ' ASP . 90.6 m-20 -83.3 -32.19 26.47 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 10.58 83.38 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.2 p-10 -86.24 2.26 47.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.428 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.41 30.16 76.1 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.9 mt-10 -142.77 152.49 42.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 110.081 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 8.0 t -127.53 120.06 27.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.2 t70 -82.53 170.02 15.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.1 t80 -48.47 -49.52 35.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.14 -41.51 92.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.627 -0.671 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -69.66 -40.04 76.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.881 -1.137 . . . . 0.0 108.99 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 t80 -69.84 -33.77 72.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -58.99 -34.86 72.32 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -25.05 64.11 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.566 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 76' ' ' PHE . 33.4 t80 -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.924 -1.11 . . . . 0.0 108.879 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -40.0 80.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 O-C-N 121.009 -1.057 . . . . 0.0 108.587 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -65.62 -42.14 91.91 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.634 -177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.59 -40.0 73.5 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 118.34 -1.344 . . . . 0.0 110.442 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -77.18 -33.4 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.778 -1.201 . . . . 0.0 109.508 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -66.87 -39.84 87.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.716 -1.24 . . . . 0.0 108.364 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 84.7 m -69.82 -40.09 76.09 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.182 0.515 . . . . 0.0 110.489 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.29 98.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 110.016 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.67 -41.67 98.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.186 -0.946 . . . . 0.0 109.467 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -61.79 -40.22 94.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.18 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.96 -40.73 94.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.447 -0.783 . . . . 0.0 109.843 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.299 -1.628 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.324 -179.583 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.377 0.608 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.42 -38.22 86.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.047 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -39.4 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 0.0 109.995 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 64.6 mt . . . . . 0 C--N 1.302 -1.5 0 O-C-N 121.205 -0.934 . . . . 0.0 109.176 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.28 -38.34 86.41 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 97.7 mt -60.03 -39.54 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.447 ' O ' ' OG1' ' B' ' 59' ' ' THR . 47.5 mt -57.76 -39.59 77.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.183 -0.948 . . . . 0.0 109.378 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.686 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.439 0.638 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.05 -38.28 85.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.475 -0.766 . . . . 0.0 110.044 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.84 -30.96 69.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.683 -1.261 . . . . 0.0 109.602 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.991 -1.068 . . . . 0.0 110.491 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -31.99 73.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.692 -1.255 . . . . 0.0 108.456 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.97 97.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.496 -0.752 . . . . 0.0 109.587 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.4 mtt -60.09 -40.01 88.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.02 -1.05 . . . . 0.0 108.974 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.87 -40.36 82.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -48.87 58.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.849 -0.532 . . . . 0.0 110.165 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' B' ' 10' ' ' LEU . 93.9 mt -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.106 -0.996 . . . . 0.0 110.121 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.28 -40.1 87.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.037 -1.039 . . . . 0.0 108.559 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.31 -39.92 77.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.268 -0.895 . . . . 0.0 110.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.43 -34.41 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.9 -48.46 81.59 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.469 -0.769 . . . . 0.0 109.378 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -70.11 -27.2 64.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.582 -0.699 . . . . 0.0 110.862 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.23 -46.17 90.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.167 -0.958 . . . . 0.0 111.355 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -101.72 -25.35 13.88 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.843 -1.161 . . . . 0.0 110.556 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -60.04 -40.13 88.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.562 -1.336 . . . . 0.0 108.234 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.43 4.39 59.77 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.001 -1.293 . . . . 0.0 108.854 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -129.45 161.2 30.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.699 -0.626 . . . . 0.0 109.422 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.56 -34.86 50.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.16 77.34 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.896 -1.355 . . . . 0.0 108.998 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.07 -16.46 56.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.0 109.647 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -71.29 -39.71 71.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.463 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -129.2 155.87 44.84 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.303 -0.873 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.44 115.0 29.45 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 80.0 tttt -80.01 156.9 26.94 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 13.2 ptpt -44.14 -40.24 4.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.048 -1.033 . . . . 0.0 110.012 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.4 m -60.09 -41.55 92.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.16 -0.963 . . . . 0.0 109.615 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -69.89 -40.07 75.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 35' ' ' LEU . 58.9 tp -65.22 -39.17 92.41 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.02 -40.5 89.52 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.556 -0.715 . . . . 0.0 109.871 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.1 tp10 -70.29 -40.05 74.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.94 -1.1 . . . . 0.0 108.842 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.721 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.01 -50.19 74.69 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.78 -0.575 . . . . 0.0 109.85 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -70.12 -41.73 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.909 -1.119 . . . . 0.0 110.058 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -65.87 -37.19 85.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.983 -1.073 . . . . 0.0 110.561 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.556 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 9.1 m-20 -86.22 -12.71 48.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.159 -0.963 . . . . 0.0 110.444 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -106.32 -27.71 10.83 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.4 mt -112.01 54.8 0.69 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 94.9 p -45.07 -99.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.517 -0.739 . . . . 0.0 111.039 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' N ' ' OG ' ' A' ' 41' ' ' SER . 72.7 m80 -114.34 -20.42 10.85 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 110.208 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.92 -39.08 84.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 108.744 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -116.3 -162.57 0.85 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -60.06 135.14 57.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.921 -1.112 . . . . 0.0 110.318 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 5.0 pt-20 -99.19 116.23 30.91 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -83.35 126.88 40.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.979 0 CA-C-O 121.835 0.826 . . . . 0.0 109.01 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -138.55 -15.09 1.23 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 86.1 mt-10 -123.08 153.63 39.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.436 -0.79 . . . . 0.0 110.368 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.53 -23.72 62.68 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 pt-20 -60.67 -42.19 96.56 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.302 -0.873 . . . . 0.0 110.06 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 t -62.98 -47.02 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.28 -40.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.69 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.86 -40.06 79.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 118.748 -1.181 . . . . 0.0 109.47 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.93 -39.92 75.84 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.958 0.885 . . . . 0.0 108.843 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 52' ' ' VAL . 49.6 t -69.64 -39.21 77.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-O 121.734 0.778 . . . . 0.0 109.017 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' ASP . 53.6 mtp -70.69 -39.98 73.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.49 -33.69 76.14 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 94.7 m -69.76 -40.05 76.34 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.497 0.665 . . . . 0.0 110.088 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -102.61 -58.39 1.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' MET . 94.3 m-20 -84.69 60.82 6.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.77 5.13 0.67 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 61' ' ' ASP . 89.1 m-20 -71.51 -34.69 70.32 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.71 10.69 83.92 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 29.7 p-10 -78.57 -0.54 30.09 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.24 31.11 75.86 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 107.486 -2.246 . . . . 0.0 107.486 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -143.01 151.12 40.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.525 -0.985 . . . . 0.0 110.323 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 115.86 20.88 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.61 165.47 22.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.147 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 27.0 p90 -55.09 -40.02 69.96 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.202 -0.936 . . . . 0.0 108.858 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 61.8 tt0 -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.97 . . . . 0.0 108.739 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 -39.97 75.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.469 -0.769 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.695 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.4 t80 -59.74 -39.89 86.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.751 -1.218 . . . . 0.0 108.625 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -31.72 71.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.253 -0.904 . . . . 0.0 109.509 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -69.28 -31.35 69.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.931 -1.106 . . . . 0.0 109.986 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.01 -41.48 92.24 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.051 -1.03 . . . . 0.0 109.519 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -60.61 -44.08 96.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -63.77 -40.84 97.65 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.56 -45.01 95.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 110.469 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.6 -28.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.125 -0.985 . . . . 0.0 110.01 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 m -65.96 -40.02 90.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.067 -1.021 . . . . 0.0 109.047 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 p -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.745 -0.597 . . . . 0.0 110.554 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.87 95.58 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.043 -1.036 . . . . 0.0 109.904 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.89 -44.71 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.218 -0.926 . . . . 0.0 109.479 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -62.35 -40.44 96.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.431 -0.793 . . . . 0.0 110.367 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.068 -1.02 . . . . 0.0 109.909 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--N 1.301 -1.538 0 O-C-N 121.04 -1.037 . . . . 0.0 108.71 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.342 0.592 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.12 -38.1 85.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.539 -0.726 . . . . 0.0 110.041 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -59.95 -31.02 69.47 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.65 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.94 -50.05 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.049 -1.032 . . . . 0.0 110.451 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -32.25 73.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.494 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.68 96.33 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.482 -0.761 . . . . 0.0 109.513 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -60.14 -39.99 88.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.995 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.02 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.14 59.24 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.341 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 10' ' ' LEU . 88.5 mt -61.84 -41.03 97.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 109.935 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.9 -40.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.976 -1.077 . . . . 0.0 108.473 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.47 -39.78 77.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.4 -34.85 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.01 -47.89 83.98 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.401 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.47 -26.84 63.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.457 -0.777 . . . . 0.0 110.783 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.92 -46.88 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.11 -0.994 . . . . 0.0 111.358 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -101.57 -25.19 13.98 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.967 -1.083 . . . . 0.0 110.515 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -60.22 -39.84 88.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.559 -1.338 . . . . 0.0 108.083 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.79 60.38 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.29 . . . . 0.0 108.891 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -129.38 161.31 30.63 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.685 -0.634 . . . . 0.0 109.479 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.75 49.22 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.43 77.72 0.56 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.883 -1.363 . . . . 0.0 108.935 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.33 -16.53 56.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 109.5 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -71.31 -39.63 71.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 110.416 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -129.1 155.73 44.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.306 -0.871 . . . . 0.0 110.466 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.27 114.84 29.21 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 29' ' ' LYS . 83.8 tttt -79.95 157.2 26.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.946 -1.096 . . . . 0.0 108.109 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' B' ' 57' ' ' MET . 13.2 ptpt -44.62 -40.0 5.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.002 -1.061 . . . . 0.0 110.038 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.57 -41.18 94.1 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.494 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.527 HD12 HD23 ' B' ' 35' ' ' LEU . 58.6 tp -65.06 -39.02 92.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -59.88 -41.19 91.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.508 -0.745 . . . . 0.0 109.815 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.541 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 50.0 tp10 -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.003 -1.061 . . . . 0.0 108.897 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.0 -50.11 75.01 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.937 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.99 -41.88 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.841 -1.162 . . . . 0.0 110.047 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.62 -37.24 86.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.09 -1.006 . . . . 0.0 110.526 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.541 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 9.5 m-20 -85.96 -13.16 48.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 110.575 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.98 -27.61 11.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.284 -0.885 . . . . 0.0 108.72 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.03 54.75 0.69 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.6 p -45.05 -99.14 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.513 -0.742 . . . . 0.0 111.15 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.444 ' N ' ' OG ' ' B' ' 41' ' ' SER . 72.7 m80 -114.52 -20.27 10.82 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.381 -0.825 . . . . 0.0 110.129 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.01 -39.52 86.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.004 -1.06 . . . . 0.0 108.603 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -116.03 -162.47 0.84 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER -60.28 135.64 57.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.95 -1.094 . . . . 0.0 110.415 -179.177 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 5.1 pt-20 -99.45 116.21 31.07 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.45 126.99 40.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 CA-C-O 121.942 0.877 . . . . 0.0 109.015 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.549 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -138.58 -15.15 1.23 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -123.33 153.96 39.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 110.33 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.58 -23.85 62.66 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -60.59 -42.13 96.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.3 -0.875 . . . . 0.0 110.175 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.9 -47.15 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.01 -41.11 85.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.831 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.92 -40.21 79.18 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.868 -1.133 . . . . 0.0 109.203 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.84 -40.0 76.1 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.012 0.911 . . . . 0.0 108.764 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.39 -39.54 78.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.625 ' O ' ' N ' ' B' ' 61' ' ' ASP . 51.1 mtp -70.54 -40.07 73.63 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.93 -34.04 76.62 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 95.0 m -69.91 -39.96 75.87 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.497 0.665 . . . . 0.0 110.094 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -102.05 -58.96 1.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' B' ' 57' ' ' MET . 94.6 m-20 -84.61 60.61 6.2 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.84 5.45 0.64 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.987 0.898 . . . . 0.0 108.609 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.7 m-20 -71.54 -34.93 70.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.97 10.61 83.75 Favored Glycine 0 N--CA 1.482 1.724 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.4 p-10 -78.3 -0.83 30.36 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.5 30.87 75.65 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.561 -2.215 . . . . 0.0 107.561 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -143.06 151.26 40.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.378 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.36 116.07 21.31 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.83 165.61 22.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.122 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 27.0 p90 -55.09 -39.97 69.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.074 -1.016 . . . . 0.0 108.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.597 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.7 tt0 -62.97 -41.79 99.64 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.12 -0.988 . . . . 0.0 108.657 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.98 -39.98 75.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.554 -0.716 . . . . 0.0 110.69 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.6 t80 -59.89 -39.88 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.647 -1.283 . . . . 0.0 108.629 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -31.87 70.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.414 ' HB3' HD21 ' B' ' 60' ' ' LEU . . . -69.64 -30.89 68.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 109.993 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' B' ' 80' ' ' VAL . 71.1 t80 -60.13 -42.17 94.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.381 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.411 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -60.13 -43.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.6 t -63.73 -40.81 97.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.417 ' CE ' HG23 ' Y' ' 10' ' ' ILE . 60.4 ttp -61.43 -45.3 94.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 110.593 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -82.56 -28.94 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.165 -0.959 . . . . 0.0 109.872 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 87.1 m -65.89 -39.89 91.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.108 -0.995 . . . . 0.0 109.067 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -72.65 -40.31 66.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.688 -0.632 . . . . 0.0 110.536 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.88 94.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.9 t -65.23 -44.38 88.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.087 -1.008 . . . . 0.0 109.551 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.56 -40.2 96.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.333 -0.854 . . . . 0.0 110.299 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.35 -40.08 89.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.925 -1.11 . . . . 0.0 109.911 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--N 1.302 -1.464 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.688 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.668 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.45 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 56.6 tptt -60.9 -40.09 91.77 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.53 -40.04 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.559 -0.713 . . . . 0.0 111.564 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 59' ' ' THR . 6.9 mp . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.397 -1.439 . . . . 0.0 108.452 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.685 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.469 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 55.9 tptt -60.68 -40.03 90.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.417 HG23 ' CE ' ' B' ' 79' ' ' MET . 96.4 mt -61.6 -40.05 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.511 -0.743 . . . . 0.0 111.478 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.3 mp -59.85 -39.84 86.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.239 -1.538 . . . . 0.0 108.586 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.3 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.51 -38.64 81.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 0.0 109.952 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.97 -25.22 67.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.915 -1.116 . . . . 0.0 110.644 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -49.8 76.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.894 -1.129 . . . . 0.0 110.553 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -69.85 -39.96 76.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.395 -1.441 . . . . 0.0 109.054 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.59 97.07 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.377 -0.827 . . . . 0.0 109.893 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.6 ttm -60.05 -42.7 95.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.637 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.9 -40.0 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.98 99.77 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.344 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.72 -40.15 94.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.954 -1.091 . . . . 0.0 109.459 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' B' ' 84' ' ' CYS . 97.1 mt -62.26 -41.63 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.859 . . . . 0.0 110.035 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.99 -39.98 75.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.701 -1.249 . . . . 0.0 110.098 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.01 -34.36 56.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.013 -1.055 . . . . 0.0 108.483 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -58.28 -49.59 76.61 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -77.11 -27.71 54.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.333 -0.854 . . . . 0.0 112.221 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.01 -40.36 88.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.59 -1.319 . . . . 0.0 111.558 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.51 -30.95 9.7 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.875 -1.141 . . . . 0.0 110.579 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -61.91 -44.14 97.39 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.922 -1.111 . . . . 0.0 111.158 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.53 81.39 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.91 -1.138 . . . . 0.0 110.497 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -69.98 -41.62 74.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.823 -1.398 . . . . 0.0 110.726 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 53.8 tp10 -164.6 158.7 18.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.109 -0.994 . . . . 0.0 109.138 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -158.77 46.38 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.54 130.51 42.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -1.092 . . . . 0.0 109.773 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.26 -40.01 78.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.478 -0.764 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -76.98 -20.39 56.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 0.0 112.01 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.02 158.66 38.99 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.899 -1.125 . . . . 0.0 110.424 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.85 120.08 41.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.665 . . . . 0.0 109.558 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HZ2' ' CB ' ' A' ' 30' ' ' SER . 27.2 ttpp -93.3 150.39 20.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' LYS . 26.7 ttmt -36.94 -42.91 0.42 Allowed 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.217 0.532 . . . . 0.0 110.428 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.514 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 99.8 p -62.86 -42.31 99.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -0.935 . . . . 0.0 110.167 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 34.5 mt-10 -68.7 -40.06 80.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.973 -1.08 . . . . 0.0 108.524 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.45 -40.06 93.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.568 -0.708 . . . . 0.0 109.659 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.41 -40.05 85.41 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.505 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 35.3 tp10 -65.19 -41.38 94.63 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.465 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.79 -49.96 75.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.655 -0.653 . . . . 0.0 110.013 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -80.93 -33.48 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.172 -0.955 . . . . 0.0 111.982 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 10.0 p-10 -77.27 -26.03 52.0 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.569 -1.957 . . . . 0.0 111.266 -177.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 59.0 m-20 -108.97 -37.23 5.89 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 121.241 -0.912 . . . . 0.0 111.52 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' HD22 ' A' ' 40' ' ' LEU . 2.8 tm-20 -82.31 -22.15 35.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.584 -1.323 . . . . 0.0 108.688 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 39' ' ' GLU . 2.1 mm? -117.91 74.03 0.92 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' LEU . 4.2 m -59.91 -134.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.591 -0.693 . . . . 0.0 110.162 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -91.02 -1.46 57.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 109.581 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.97 -40.97 90.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' HD12 ' A' ' 40' ' ' LEU . 4.6 tp -120.37 -49.92 2.25 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.612 -0.68 . . . . 0.0 109.358 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.29 128.93 6.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.13 -0.981 . . . . 0.0 109.286 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -99.28 119.99 38.82 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -87.99 108.52 18.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-O 121.882 0.849 . . . . 0.0 109.541 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -13.75 8.6 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -123.65 148.55 46.36 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.676 0.75 . . . . 0.0 110.535 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.65 -20.43 61.26 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.21 -40.52 90.42 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.858 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.0 t -64.04 -50.07 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.4 t -59.98 -46.74 93.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.013 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.57 -42.62 99.66 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 120.781 -1.199 . . . . 0.0 109.402 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.08 -38.44 72.44 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -77.11 -32.45 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 121.796 0.808 . . . . 0.0 108.994 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -72.44 -40.38 67.09 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.19 -35.57 75.69 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -72.6 -24.15 61.04 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.511 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 72' ' ' GLU . 19.4 tp -104.9 -45.85 4.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.245 -0.909 . . . . 0.0 108.925 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 57' ' ' MET . 22.7 t0 -75.17 53.2 0.62 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -66.56 6.45 0.46 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.771 0.796 . . . . 0.0 109.115 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.7 m-20 -91.42 -28.07 17.89 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.6 6.84 88.19 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 39.6 p-10 -91.28 4.15 53.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.617 -0.931 . . . . 0.0 109.134 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.56 28.44 72.31 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 99.5 mt-10 -145.57 159.76 42.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.462 -1.022 . . . . 0.0 110.065 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 123.23 26.16 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 48.1 p-10 -82.82 171.84 13.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.754 -1.216 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 36.0 p90 -53.21 -43.03 66.89 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.263 -0.898 . . . . 0.0 109.385 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 4.6 tp-100 -60.09 -41.51 92.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.26 -0.9 . . . . 0.0 109.275 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.645 ' O ' HD11 ' A' ' 60' ' ' LEU . 31.0 mt-10 -67.13 -39.99 86.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -0.92 . . . . 0.0 110.059 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.09 -38.97 80.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 0.0 109.333 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.6 tpt -59.93 -34.79 73.7 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.798 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.08 68.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.031 -1.043 . . . . 0.0 110.22 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 80' ' ' VAL . 52.2 t80 -59.39 -40.01 85.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.885 -1.134 . . . . 0.0 108.068 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -39.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -60.88 -46.61 89.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.84 -0.537 . . . . 0.0 111.491 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.416 ' O ' ' OG1' ' A' ' 82' ' ' THR . 17.4 ptt? -70.0 -39.85 75.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.692 -1.255 . . . . 0.0 110.084 -178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG13 HD13 ' X' ' 10' ' ' ILE . 12.2 t -72.82 -34.81 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.976 -1.078 . . . . 0.0 108.474 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 m -62.8 -39.89 95.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.199 -0.938 . . . . 0.0 108.641 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 79' ' ' MET . 7.2 p -64.66 -40.01 94.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.818 . . . . 0.0 109.883 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.68 72.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.063 -1.023 . . . . 0.0 110.607 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.557 ' SG ' HD11 ' B' ' 11' ' ' ILE . 15.1 p -61.12 -41.0 95.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.157 -0.964 . . . . 0.0 109.95 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.542 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 54.4 t-80 -60.02 -40.73 90.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 109.701 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.65 -40.34 95.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.205 -0.934 . . . . 0.0 109.918 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 110.306 179.431 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.25 -38.61 81.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.478 -0.764 . . . . 0.0 110.066 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.8 -25.52 67.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.914 -1.116 . . . . 0.0 110.621 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 8' ' ' VAL . 85.7 tt0 -59.96 -49.72 76.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.919 -1.113 . . . . 0.0 110.602 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -69.94 -39.98 75.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.441 -1.412 . . . . 0.0 109.009 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 0.0 109.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.5 ttm -60.22 -42.57 95.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 109.685 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.8 t -60.92 -39.94 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.04 99.38 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.498 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.57 -39.91 95.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.208 . . . . 0.0 109.215 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.557 HD11 ' SG ' ' A' ' 84' ' ' CYS . 97.3 mt -61.64 -41.96 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.87 . . . . 0.0 110.064 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.07 -39.94 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.694 -1.254 . . . . 0.0 109.998 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.02 -34.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.021 -1.049 . . . . 0.0 108.473 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.87 -49.14 78.89 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.478 -0.763 . . . . 0.0 109.718 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -77.49 -27.45 51.93 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 0.0 112.156 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.05 -40.51 89.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.648 -1.283 . . . . 0.0 111.537 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.33 -31.48 9.53 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 120.904 -1.123 . . . . 0.0 110.612 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.2 t -61.69 -44.06 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.143 . . . . 0.0 111.134 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.19 81.56 Favored Glycine 0 N--CA 1.494 2.544 0 C-N-CA 119.883 -1.151 . . . . 0.0 110.517 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -69.96 -41.87 73.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.77 -1.429 . . . . 0.0 110.657 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 54.0 tp10 -164.34 158.68 18.95 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.011 . . . . 0.0 109.057 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 -158.93 45.59 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.68 130.77 42.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.371 -1.076 . . . . 0.0 109.675 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.37 -40.08 77.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.458 -0.776 . . . . 0.0 109.972 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -76.88 -20.12 56.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 0.0 112.091 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -130.12 158.45 39.62 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.865 -1.147 . . . . 0.0 110.382 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.72 120.13 41.18 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.649 -0.657 . . . . 0.0 109.525 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.521 ' HZ2' ' CB ' ' B' ' 30' ' ' SER . 27.6 ttpp -93.14 150.57 20.41 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.321 -0.862 . . . . 0.0 109.205 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 28' ' ' LYS . 28.4 ttmt -37.04 -43.29 0.46 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.216 0.531 . . . . 0.0 110.363 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.521 ' CB ' ' HZ2' ' B' ' 28' ' ' LYS . 98.8 p -62.68 -42.24 99.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.12 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 35.8 mt-10 -68.72 -39.97 80.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.027 -1.046 . . . . 0.0 108.537 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.72 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.65 -39.94 86.05 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 33.6 tp10 -65.28 -41.17 94.46 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.146 -1.022 . . . . 0.0 108.427 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 tp -60.75 -50.18 74.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.661 -0.649 . . . . 0.0 109.88 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.44 -33.92 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.227 -0.92 . . . . 0.0 112.04 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.576 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 9.4 p-10 -77.01 -26.08 53.42 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.472 -2.018 . . . . 0.0 111.341 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.576 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 58.7 m-20 -109.01 -37.16 5.9 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.201 -0.937 . . . . 0.0 111.582 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.478 ' O ' HD22 ' B' ' 40' ' ' LEU . 2.7 tm-20 -82.4 -21.96 35.59 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.643 -1.286 . . . . 0.0 108.655 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' O ' ' B' ' 39' ' ' GLU . 2.4 mm? -117.86 73.83 0.91 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.8 m -59.75 -134.76 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.17 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -90.72 -1.51 57.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.98 -1.075 . . . . 0.0 109.633 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.04 -40.99 91.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.92 . . . . 0.0 109.629 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' B' ' 40' ' ' LEU . 4.2 tp -120.04 -50.63 2.26 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.639 -0.663 . . . . 0.0 109.346 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.38 129.31 7.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.193 -0.942 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -99.47 119.77 38.54 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -88.03 108.33 18.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 121.904 0.859 . . . . 0.0 109.376 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -13.89 8.73 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -123.53 148.55 46.2 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.679 0.752 . . . . 0.0 110.594 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.33 -20.62 61.45 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.06 -40.42 89.41 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.068 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.444 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.2 t -64.12 -50.01 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -60.12 -46.54 94.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -62.92 -42.59 99.85 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.434 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.12 -38.32 72.31 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 109.274 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.7 t -77.08 -32.36 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.798 0.808 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.57 ' N ' ' O ' ' B' ' 53' ' ' VAL . 10.1 tpt -72.58 -40.43 66.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.43 -35.23 75.33 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.8 m -72.78 -23.94 60.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.549 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.654 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.0 tp -105.04 -45.81 4.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.284 -0.885 . . . . 0.0 108.822 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 23.0 t0 -75.08 53.21 0.6 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -66.61 6.5 0.46 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.762 0.791 . . . . 0.0 109.087 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -91.46 -28.2 17.79 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.07 6.34 88.31 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.6 p-10 -91.14 4.24 52.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.492 -1.005 . . . . 0.0 109.165 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.46 28.47 72.4 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 99.6 mt-10 -145.51 159.93 42.37 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -1.04 . . . . 0.0 110.11 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.95 123.15 25.39 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 47.5 p-10 -82.55 171.74 13.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.855 -1.153 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 36.8 p90 -53.23 -42.89 66.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.427 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 4.7 tp-100 -60.31 -41.02 92.58 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.197 -0.939 . . . . 0.0 109.344 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.654 ' O ' HD11 ' B' ' 60' ' ' LEU . 30.4 mt-10 -67.2 -39.93 86.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.121 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.58 -38.87 82.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.993 -1.067 . . . . 0.0 109.336 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.8 tpt -59.93 -34.63 73.49 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 119.194 -1.002 . . . . 0.0 108.832 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.3 69.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 110.189 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.482 ' O ' HG23 ' B' ' 80' ' ' VAL . 53.8 t80 -59.45 -39.95 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.903 -1.123 . . . . 0.0 108.146 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.61 -38.49 79.12 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.07 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.18 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -61.5 -46.24 90.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.79 -0.569 . . . . 0.0 111.459 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.437 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.5 ptt? -70.19 -40.01 74.86 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.497 -1.281 . . . . 0.0 110.046 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.491 HG13 HD13 ' Y' ' 10' ' ' ILE . 11.9 t -72.81 -34.56 47.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.951 -1.093 . . . . 0.0 108.593 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.7 m -62.79 -39.86 95.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.105 -0.997 . . . . 0.0 108.578 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 79' ' ' MET . 9.7 p -64.52 -39.97 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.0 109.99 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.67 72.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 110.505 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 15.1 p -60.92 -41.12 95.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.08 -1.012 . . . . 0.0 109.839 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.552 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 54.7 t-80 -60.14 -41.04 91.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.645 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.98 -40.68 96.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.0 110.152 179.56 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.698 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.28 -40.08 86.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.507 HD13 HG13 ' A' ' 80' ' ' VAL . 75.6 mt -61.7 -45.03 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.088 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--N 1.299 -1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.487 -178.783 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.692 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.94 -39.98 83.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.945 . . . . 0.0 108.959 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.491 HD13 HG13 ' B' ' 80' ' ' VAL . 75.7 mt -61.51 -45.21 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.972 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.97 -39.95 87.4 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.0 109.564 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.81 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.31 -40.03 89.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 108.872 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD22 ' OE1' ' B' ' 39' ' ' GLU . 6.6 tt -59.97 -22.73 62.9 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.122 -0.986 . . . . 0.0 110.705 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.04 -51.79 68.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.816 -1.178 . . . . 0.0 110.405 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.67 -33.66 66.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.757 -1.214 . . . . 0.0 108.77 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.01 94.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.0 ttm -60.4 -40.04 89.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.294 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.01 -40.08 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.51 -46.17 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.318 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.16 -40.32 95.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.038 -1.039 . . . . 0.0 109.403 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.07 -47.19 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.031 -1.043 . . . . 0.0 109.561 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.99 -40.02 75.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.822 -1.174 . . . . 0.0 109.867 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' ALA . 38.3 t -58.94 -36.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.99 -48.54 81.28 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.435 -0.791 . . . . 0.0 109.551 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -70.0 -31.87 69.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.58 -0.7 . . . . 0.0 111.718 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.99 -43.94 94.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.925 -1.109 . . . . 0.0 111.155 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 35' ' ' LEU . 97.5 m-85 -94.47 -31.04 14.13 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.816 -1.177 . . . . 0.0 110.346 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 45.5 t -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 109.285 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.51 2.86 65.43 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.235 -1.156 . . . . 0.0 108.912 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' GLY . 81.1 tt0 -144.52 168.67 19.58 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -51.0 -173.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.024 -1.231 . . . . 0.0 110.024 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 26' ' ' LYS . 74.0 m-20 56.45 52.46 9.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.318 -1.107 . . . . 0.0 108.913 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 97.9 mttt -60.03 -32.5 70.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.445 -0.785 . . . . 0.0 110.336 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.97 -19.94 62.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 110.371 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.3 mttt -129.71 153.37 48.23 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.198 -0.939 . . . . 0.0 109.668 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.4 mt -113.41 128.75 56.56 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LYS . 38.0 ttpt -92.81 156.52 16.94 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 33.7 mtmt -42.77 -42.0 3.41 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.318 -0.864 . . . . 0.0 109.842 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -63.55 -40.03 95.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.277 -0.889 . . . . 0.0 109.726 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.76 -39.96 76.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.057 -1.027 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD22 ' SD ' ' A' ' 57' ' ' MET . 22.2 tp -70.02 -29.01 65.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.052 -1.03 . . . . 0.0 108.7 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.56 -40.04 81.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.236 -0.915 . . . . 0.0 108.611 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -57.9 -53.79 54.27 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.939 0.876 . . . . 0.0 108.949 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.97 -42.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.205 -0.935 . . . . 0.0 112.273 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -73.6 -30.18 62.84 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.157 -1.589 . . . . 0.0 111.537 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 m-20 -90.94 -17.2 26.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.031 -1.043 . . . . 0.0 110.666 -177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -107.6 -30.09 8.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.7 mt -113.32 32.41 5.78 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.282 -0.886 . . . . 0.0 108.727 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' LEU . 68.5 m -43.44 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.321 -0.862 . . . . 0.0 111.035 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -101.99 -16.7 16.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.202 -0.936 . . . . 0.0 110.27 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.32 -30.03 70.83 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.186 -0.947 . . . . 0.0 109.147 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -141.6 -158.82 0.9 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.359 -0.838 . . . . 0.0 108.85 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 1.1 tm-20 -49.26 138.47 12.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.027 -1.046 . . . . 0.0 109.854 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 17.5 pt-20 -103.68 128.24 51.04 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' A' ' 52' ' ' VAL . 44.4 mm -94.49 112.86 27.89 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.964 0.887 . . . . 0.0 110.035 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 -12.37 6.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.8 tp10 -124.19 140.05 53.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -66.9 -21.81 65.98 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.056 -1.027 . . . . 0.0 110.134 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.9 pt-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.329 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' A' ' 47' ' ' ILE . 29.8 t -61.52 -50.01 82.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.31 -42.47 90.78 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.037 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.156 -1.018 . . . . 0.0 108.968 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -68.01 -39.47 83.19 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' VAL . 44.3 t -70.02 -36.74 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 62.2 mmm -70.54 -39.9 73.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.07 -26.93 65.05 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -71.78 -38.44 70.31 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.403 0.621 . . . . 0.0 109.469 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.55 -60.41 1.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.1 t0 -74.86 57.15 0.77 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.21 2.76 1.44 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.6 m-20 -76.7 -32.11 57.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 10.62 79.26 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 54.5 p-10 -83.75 2.84 36.01 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.57 33.84 86.34 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.7 tp10 -142.27 143.04 32.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.569 -0.959 . . . . 0.0 110.373 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 t -126.72 124.44 39.78 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 41.0 p-10 -88.49 172.82 9.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 108.851 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 29.5 p90 -58.3 -40.03 80.89 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.089 -1.007 . . . . 0.0 109.179 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 54.6 tt0 -60.04 -42.64 94.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.132 -0.98 . . . . 0.0 109.401 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 81.5 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.988 -1.07 . . . . 0.0 109.971 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.28 -39.91 88.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.266 -0.896 . . . . 0.0 109.954 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.0 mmm -60.02 -34.8 73.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 0.0 108.905 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -27.91 68.19 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.99 -41.66 92.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.998 -1.064 . . . . 0.0 108.638 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.57 -44.15 98.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 t -60.05 -47.89 83.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.489 0.662 . . . . 0.0 109.442 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.18 -45.11 95.94 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.767 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.85 -29.61 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.78 -1.2 . . . . 0.0 108.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 73.1 m -67.59 -40.0 84.81 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -67.58 -40.03 84.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.62 -0.675 . . . . 0.0 109.845 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.36 98.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.859 -1.151 . . . . 0.0 109.192 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 55.9 m -64.84 -47.13 79.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.324 -0.86 . . . . 0.0 109.041 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -60.03 -40.9 90.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.754 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.9 -39.99 91.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.302 -1.482 0 O-C-N 120.912 -1.118 . . . . 0.0 108.499 179.789 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.172 0.511 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.4 -39.96 89.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.945 . . . . 0.0 108.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.472 HD22 ' OE1' ' A' ' 39' ' ' GLU . 6.6 tt -60.05 -22.75 63.08 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 110.691 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.9 -51.96 67.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 110.446 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.61 66.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.724 -1.235 . . . . 0.0 108.785 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.2 95.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -0.847 . . . . 0.0 109.484 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.15 -40.07 88.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.081 -1.012 . . . . 0.0 109.335 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.94 -40.33 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.19 -46.58 86.42 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.95 -40.2 94.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.21 -46.95 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.008 -1.058 . . . . 0.0 109.606 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.788 -1.195 . . . . 0.0 109.933 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 9' ' ' ALA . 39.5 t -59.01 -36.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.98 -48.67 80.77 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.546 -0.721 . . . . 0.0 109.517 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -70.0 -31.7 69.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.633 -0.667 . . . . 0.0 111.723 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -44.19 94.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.112 . . . . 0.0 111.045 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.526 ' CD2' HD22 ' B' ' 35' ' ' LEU . 97.4 m-85 -94.33 -30.86 14.3 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.81 -1.181 . . . . 0.0 110.437 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 45.1 t -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.62 3.0 65.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -1.168 . . . . 0.0 108.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLY . 81.1 tt0 -144.42 168.5 19.95 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -50.75 -173.44 0.01 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.8 m-20 56.18 52.23 10.59 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -1.099 . . . . 0.0 109.045 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 18' ' ' SER . 97.8 mttt -59.98 -32.19 70.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.11 -19.92 62.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.121 -0.987 . . . . 0.0 110.328 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 23' ' ' ASP . 99.0 mttt -129.79 153.41 48.26 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.152 -0.968 . . . . 0.0 109.703 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -113.54 128.64 56.51 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' B' ' 29' ' ' LYS . 38.0 ttpt -92.61 156.52 17.05 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 33.4 mtmt -43.02 -41.73 3.56 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.303 -0.873 . . . . 0.0 109.773 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -63.64 -40.03 95.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.721 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.489 HD22 ' SD ' ' B' ' 57' ' ' MET . 22.9 tp -69.96 -29.06 66.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.065 -1.022 . . . . 0.0 108.714 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.63 -40.04 82.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -65.57 -39.98 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -57.81 -53.81 54.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.899 0.856 . . . . 0.0 108.956 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.04 -42.61 79.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.272 -0.892 . . . . 0.0 112.308 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -74.06 -29.99 62.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.155 -1.591 . . . . 0.0 111.431 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 3.3 m-20 -90.94 -17.2 26.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.022 -1.049 . . . . 0.0 110.605 -177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.454 ' OE1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -107.55 -30.12 8.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 109.399 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -113.27 32.35 5.82 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.24 -0.912 . . . . 0.0 108.779 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -43.18 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.312 -0.868 . . . . 0.0 111.092 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.21 -16.27 16.39 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.14 -0.975 . . . . 0.0 110.287 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.85 -30.07 70.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.047 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.37 -158.83 0.9 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 1.1 tm-20 -49.21 138.26 12.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.977 -1.077 . . . . 0.0 109.837 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 17.6 pt-20 -103.52 128.27 50.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -94.6 112.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.212 0 CA-C-O 121.941 0.877 . . . . 0.0 110.17 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -12.11 6.79 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.5 tp10 -124.3 139.98 53.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -67.15 -21.8 65.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 110.078 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.8 pt-20 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -0.876 . . . . 0.0 109.317 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' B' ' 47' ' ' ILE . 34.2 t -61.69 -49.98 82.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.27 -42.33 90.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.043 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -68.36 -45.1 73.71 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.893 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -67.69 -39.32 84.45 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 52' ' ' VAL . 42.2 t -69.98 -37.01 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.34 -40.0 74.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.03 -26.45 64.58 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -72.18 -38.59 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.42 0.629 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.22 -60.85 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.8 t0 -74.57 57.23 0.72 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.28 2.57 1.58 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.8 m-20 -76.42 -31.99 58.24 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.43 10.57 79.6 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.631 -2.187 . . . . 0.0 107.631 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.4 p-10 -83.64 2.49 37.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.89 33.36 85.18 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.7 tp10 -141.83 143.21 33.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.626 -0.926 . . . . 0.0 110.359 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.05 124.58 39.63 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 41.2 p-10 -88.43 172.88 9.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 108.796 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.9 p90 -58.31 -40.27 81.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 109.225 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 55.2 tt0 -59.96 -42.68 94.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 109.396 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 81.2 mt-10 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.948 -1.095 . . . . 0.0 109.928 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.17 -40.02 88.47 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.98 -34.64 73.58 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.032 . . . . 0.0 109.054 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.88 67.99 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 109.648 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.98 -41.76 92.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.962 -1.086 . . . . 0.0 108.589 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -61.54 -44.1 98.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.13 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -60.09 -47.74 84.61 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.503 0.668 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.7 ttp -61.23 -45.22 95.44 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.437 -0.789 . . . . 0.0 110.741 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -79.85 -29.16 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.767 -1.208 . . . . 0.0 108.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' B' ' 77' ' ' VAL . 73.7 m -68.01 -40.04 83.07 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.0 p -67.34 -40.13 85.86 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.728 -0.607 . . . . 0.0 109.797 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.32 98.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.863 -1.148 . . . . 0.0 109.23 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 47.2 m -64.94 -46.95 79.43 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.29 -0.881 . . . . 0.0 109.02 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.804 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.79 -39.95 90.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.302 -1.477 0 O-C-N 120.905 -1.122 . . . . 0.0 108.523 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -62.89 -40.03 96.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 108.884 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.74 -40.1 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.47 -0.769 . . . . 0.0 110.944 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.301 -1.516 0 O-C-N 121.036 -1.04 . . . . 0.0 109.068 -178.351 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -62.87 -39.99 96.13 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 108.869 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.83 -40.14 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.486 -0.759 . . . . 0.0 110.989 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.896 -1.127 . . . . 0.0 109.233 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.3 -1.563 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.544 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.208 0.528 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.2 -39.61 95.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.203 -0.936 . . . . 0.0 108.96 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.42 -27.0 68.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.957 -1.089 . . . . 0.0 110.344 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 86.4 tt0 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.997 -1.064 . . . . 0.0 110.556 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.95 -39.2 79.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.776 -1.203 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.27 97.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.206 -0.934 . . . . 0.0 109.955 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.95 -42.74 94.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.907 -1.12 . . . . 0.0 109.365 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.96 -40.02 81.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.16 -45.25 94.24 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.634 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.87 -40.43 95.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.805 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.11 -45.03 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.0 109.727 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -70.02 -40.07 75.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.085 -1.01 . . . . 0.0 110.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' ALA . 48.1 t -57.97 -34.15 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 74.8 t80 -60.01 -47.15 87.02 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.234 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.15 -37.83 75.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.565 -0.71 . . . . 0.0 112.305 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.96 -42.03 93.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.784 -1.197 . . . . 0.0 112.349 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.16 -33.78 11.92 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.661 -1.274 . . . . 0.0 110.83 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.3 p -60.57 -40.0 90.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.818 -1.176 . . . . 0.0 110.198 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 4.02 64.57 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -60.01 -47.53 85.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -1.173 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 91.6 mt-10 -150.03 165.14 33.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.083 -1.011 . . . . 0.0 110.192 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.01 -156.13 1.51 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -79.47 146.35 32.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -1.024 . . . . 0.0 109.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -79.92 -9.11 59.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.31 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.18 -25.67 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.955 -1.091 . . . . 0.0 110.99 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -131.39 153.9 49.19 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.095 -1.003 . . . . 0.0 110.07 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -115.33 126.31 54.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.522 -0.736 . . . . 0.0 109.672 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.6 tttp -96.64 152.14 18.93 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.177 -0.952 . . . . 0.0 108.86 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 10.3 ttmm -35.29 -49.86 0.52 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.915 -0.491 . . . . 0.0 110.668 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -60.76 -40.44 92.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.946 -1.097 . . . . 0.0 110.452 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.0 mt-10 -70.04 -40.0 75.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.705 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' LEU . 13.7 tp -64.85 -40.02 94.49 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.874 -1.141 . . . . 0.0 108.15 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -48.91 -40.91 31.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 0.0 108.74 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -62.27 -40.77 97.31 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -60.05 -47.7 84.77 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 47' ' ' ILE . 5.1 mm -71.98 -48.74 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 111.606 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 42.0 p30 -74.94 -21.29 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.249 -1.532 . . . . 0.0 111.897 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 34.9 t-20 -91.06 -52.09 5.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.868 -1.145 . . . . 0.0 111.132 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' C ' HD22 ' A' ' 40' ' ' LEU . 98.6 mt-10 -85.49 -39.97 16.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.033 -1.042 . . . . 0.0 111.51 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 40' ' ' LEU . 1.8 mm? -97.85 24.52 6.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.273 -0.892 . . . . 0.0 108.753 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 40' ' ' LEU . 48.9 m -41.73 -103.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.487 0.66 . . . . 0.0 111.775 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 49.9 t-80 -97.28 -8.26 30.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.952 -1.093 . . . . 0.0 110.11 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.517 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 68.1 m-85 -65.84 -38.73 89.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 110.085 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -126.75 -57.17 1.36 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.388 -0.82 . . . . 0.0 110.119 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' LEU . 9.1 tm-20 -143.22 125.11 15.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.006 -1.059 . . . . 0.0 110.06 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -90.07 119.97 30.87 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 HG21 ' A' ' 36' ' ' ILE . 6.7 mm -88.79 120.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.415 1.102 . . . . 0.0 109.864 -177.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.676 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -127.36 -19.17 4.31 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -121.71 146.52 46.95 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.718 . . . . 0.0 110.482 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.99 -20.03 63.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.4 pt-20 -60.02 -41.87 93.09 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.551 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.6 t -61.3 -50.07 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.3 t -61.11 -47.94 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.111 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.38 -44.25 95.81 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.934 -1.104 . . . . 0.0 109.571 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 59' ' ' THR . 80.0 mttt -70.01 -39.8 75.61 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 52' ' ' VAL . 54.5 t -73.83 -33.74 38.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-O 121.698 0.761 . . . . 0.0 109.092 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.4 tpt -71.4 -42.88 67.78 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.44 -31.14 71.08 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 10.4 m -64.2 -29.06 70.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.7 mt -106.56 -40.32 5.59 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' ASP . 15.3 t0 -74.71 49.95 0.42 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -67.88 8.65 0.37 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' ASP . 93.8 m-20 -92.29 -24.15 19.06 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.01 6.32 89.55 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 40.0 p-10 -93.78 7.56 44.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.039 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.16 37.15 91.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.11 155.6 44.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.372 -1.075 . . . . 0.0 110.04 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.9 t -131.64 118.8 20.54 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -85.76 170.85 12.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 110.201 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -47.41 -48.04 26.4 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.74 -39.99 95.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.295 -0.878 . . . . 0.0 109.853 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 47.0 mt-10 -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.995 . . . . 0.0 109.986 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 11.8 t80 -69.92 -37.37 75.91 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.02 -32.46 70.9 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.34 65.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.12 -0.988 . . . . 0.0 109.281 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 80' ' ' VAL . 86.5 t80 -59.98 -40.32 88.7 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -64.14 -47.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -60.07 -48.87 79.93 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.417 0.627 . . . . 0.0 110.281 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HG23 ' X' ' 10' ' ' ILE . 13.8 tmm? -63.34 -42.13 98.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.571 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 76' ' ' PHE . 19.0 t -81.16 -29.65 11.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.989 -1.069 . . . . 0.0 109.174 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 53.9 m -65.44 -40.02 92.75 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.946 -1.096 . . . . 0.0 108.434 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 p -70.19 -39.51 75.18 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.605 -0.684 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.01 -45.76 91.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.978 -1.076 . . . . 0.0 110.426 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.8 p -66.8 -44.41 81.3 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.666 -1.271 . . . . 0.0 108.564 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -61.38 -40.36 94.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 109.613 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.0 -15.74 61.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.069 . . . . 0.0 109.636 -179.817 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.12 -39.94 96.15 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.199 -0.938 . . . . 0.0 109.014 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.32 -26.87 68.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 110.309 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.517 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.5 tt0 -60.03 -49.99 75.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.005 -1.059 . . . . 0.0 110.583 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -68.95 -39.41 79.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.736 -1.228 . . . . 0.0 109.594 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.52 98.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.28 -0.888 . . . . 0.0 110.029 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.5 ttm -60.01 -42.71 94.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.88 -1.137 . . . . 0.0 109.427 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -40.0 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -62.02 -45.05 95.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.621 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.26 -40.21 95.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.945 . . . . 0.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.47 -44.85 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.194 -0.941 . . . . 0.0 109.664 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -69.98 -40.0 75.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.115 -0.991 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 9' ' ' ALA . 50.2 t -57.96 -34.33 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.968 -1.083 . . . . 0.0 108.154 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 74.8 t80 -60.05 -47.07 87.38 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.168 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.16 -37.85 75.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.511 -0.743 . . . . 0.0 112.259 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.03 -41.93 93.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.73 -1.231 . . . . 0.0 112.353 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.19 -33.69 11.93 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.695 -1.253 . . . . 0.0 110.842 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -60.63 -40.01 90.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.883 -1.136 . . . . 0.0 110.124 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.34 4.06 64.78 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -60.02 -47.49 85.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.284 -1.127 . . . . 0.0 109.471 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 91.6 mt-10 -150.0 165.1 33.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.002 -1.061 . . . . 0.0 110.216 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.94 -155.98 1.52 Allowed Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.54 146.23 32.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -1.059 . . . . 0.0 109.532 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -79.97 -9.03 59.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 110.203 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.13 -25.68 60.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.95 -1.094 . . . . 0.0 111.012 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -131.41 153.88 49.24 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.053 -1.03 . . . . 0.0 110.02 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.8 mt -115.35 126.32 54.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.573 -0.704 . . . . 0.0 109.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' B' ' 29' ' ' LYS . 25.1 tttp -96.7 152.07 19.02 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.191 -0.943 . . . . 0.0 108.82 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 28' ' ' LYS . 10.7 ttmm -35.12 -49.92 0.49 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.963 -0.461 . . . . 0.0 110.72 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.68 -40.46 92.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.934 -1.103 . . . . 0.0 110.445 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 28' ' ' LYS . 97.9 mt-10 -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 109.762 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' B' ' 35' ' ' LEU . 13.1 tp -64.87 -40.01 94.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.977 -1.077 . . . . 0.0 108.189 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -48.93 -40.82 31.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.922 . . . . 0.0 108.807 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -62.26 -40.71 97.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -60.04 -47.66 84.95 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.535 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.511 HG21 HD11 ' B' ' 47' ' ' ILE . 5.1 mm -72.15 -48.61 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.909 -1.12 . . . . 0.0 111.548 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 42.1 p30 -75.13 -21.27 58.96 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.286 -1.508 . . . . 0.0 111.805 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 35.1 t-20 -91.07 -52.09 5.01 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.875 -1.14 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.481 ' C ' HD22 ' B' ' 40' ' ' LEU . 98.8 mt-10 -85.49 -39.96 16.88 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.007 -1.058 . . . . 0.0 111.589 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.732 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.9 mm? -97.8 24.41 6.89 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.285 -0.884 . . . . 0.0 108.753 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.475 ' O ' ' O ' ' B' ' 40' ' ' LEU . 50.6 m -41.81 -103.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.423 0.63 . . . . 0.0 111.805 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 42' ' ' HIS . 49.8 t-80 -97.14 -8.16 30.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.985 -1.072 . . . . 0.0 110.113 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 68.0 m-85 -66.06 -38.44 88.32 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.063 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -127.07 -57.17 1.32 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.168 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 40' ' ' LEU . 9.0 tm-20 -142.92 125.02 15.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.961 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -90.13 120.02 30.95 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.511 HD11 HG21 ' B' ' 36' ' ' ILE . 6.9 mm -88.7 119.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-O 122.431 1.11 . . . . 0.0 109.966 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.67 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -127.35 -19.13 4.32 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -121.8 146.6 46.91 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.64 0.733 . . . . 0.0 110.388 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.01 -20.0 63.29 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.512 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.421 HG23 ' H ' ' B' ' 52' ' ' VAL . 1.6 t -61.2 -50.11 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -61.05 -48.09 90.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.131 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.36 -44.31 95.69 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.889 -1.132 . . . . 0.0 109.557 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.99 -39.69 75.75 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.981 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.5 t -73.72 -33.98 39.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 121.608 0.718 . . . . 0.0 109.089 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.556 ' N ' ' O ' ' B' ' 53' ' ' VAL . 13.6 tpt -71.22 -42.94 68.27 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.42 -31.15 71.07 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.6 m -64.22 -29.01 70.14 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 34.8 mt -106.52 -40.46 5.56 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 63' ' ' ASP . 15.3 t0 -74.83 50.04 0.44 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.95 8.76 0.36 Allowed 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.9 m-20 -92.44 -24.16 18.92 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.99 6.23 89.61 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 40.2 p-10 -93.74 7.67 43.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -1.05 . . . . 0.0 109.025 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.407 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.01 37.2 91.89 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.97 155.45 44.04 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.404 -1.056 . . . . 0.0 110.112 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.3 t -131.53 118.88 20.75 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.83 170.83 12.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.071 -1.018 . . . . 0.0 110.197 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.632 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -47.4 -48.12 26.28 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.77 -39.99 95.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.769 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.8 mt-10 -69.99 -41.59 74.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.1 -1.0 . . . . 0.0 109.956 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.593 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 12.2 t80 -69.65 -37.53 76.78 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 18.4 tpt -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.39 65.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.373 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.516 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.7 t80 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.18 -48.06 87.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.3 p -60.03 -49.07 79.11 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.418 0.628 . . . . 0.0 110.271 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.709 ' SD ' HG23 ' Y' ' 10' ' ' ILE . 13.7 tmm? -63.37 -41.95 98.83 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 110.589 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 76' ' ' PHE . 18.3 t -81.22 -29.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.07 -1.019 . . . . 0.0 109.096 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 51.7 m -65.34 -39.94 93.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.031 -1.043 . . . . 0.0 108.499 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -70.38 -39.37 74.59 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.677 -0.639 . . . . 0.0 109.968 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -60.03 -45.88 91.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.933 -1.104 . . . . 0.0 110.349 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 -44.65 81.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.727 -1.233 . . . . 0.0 108.57 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -61.12 -40.63 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 0.0 109.566 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.89 -15.66 61.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 120.905 -1.122 . . . . 0.0 109.616 -179.784 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.36 -40.42 97.22 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.706 HG23 ' SD ' ' A' ' 79' ' ' MET . 80.3 mt -63.05 -40.12 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.848 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.298 -1.64 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -63.48 -40.23 96.57 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.709 HG23 ' SD ' ' B' ' 79' ' ' MET . 81.6 mt -63.17 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.791 . . . . 0.0 109.886 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.04 -39.35 85.63 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.28 179.505 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.369 0.604 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.35 -40.01 89.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.0 -31.78 70.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.088 -1.008 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' OE2' ' CG ' ' B' ' 43' ' ' PHE . 86.3 tt0 -60.0 -51.77 68.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.64 72.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.654 -1.278 . . . . 0.0 109.09 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.99 96.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.362 -0.836 . . . . 0.0 109.305 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.1 ttm -60.06 -38.43 82.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.491 -0.755 . . . . 0.0 109.675 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.87 -39.97 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.09 -42.02 99.52 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.68 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' B' ' 10' ' ' LEU . 91.1 mt -63.27 -39.98 96.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.285 -0.884 . . . . 0.0 110.004 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.45 -40.06 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.089 -1.007 . . . . 0.0 109.605 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -70.06 -39.56 75.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.981 -1.074 . . . . 0.0 109.512 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.8 t -59.3 -37.97 72.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -54.17 -50.03 67.94 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.028 -1.045 . . . . 0.0 109.729 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 15' ' ' HIS . 35.2 t-80 -79.06 -24.67 43.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.273 -0.892 . . . . 0.0 111.29 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.99 -44.53 94.44 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.045 -1.035 . . . . 0.0 111.62 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CD2' HD23 ' A' ' 35' ' ' LEU . 31.8 p90 -105.33 -29.32 10.35 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.893 -1.129 . . . . 0.0 111.157 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 t -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.841 -1.162 . . . . 0.0 109.858 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.47 64.1 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 20' ' ' ARG . 36.1 ttt-85 -62.17 -47.73 83.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.879 -1.365 . . . . 0.0 109.233 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 95.5 mt-10 -149.84 159.98 43.94 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.402 -0.811 . . . . 0.0 109.495 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.0 -171.02 32.35 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -81.96 158.08 24.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.44 -1.036 . . . . 0.0 109.386 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' NZ ' ' CD2' ' A' ' 15' ' ' HIS . 49.1 mtpt -80.0 -10.34 59.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.03 -35.7 64.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.512 -0.742 . . . . 0.0 110.665 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -130.03 157.96 40.92 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.242 -0.911 . . . . 0.0 110.58 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -119.58 126.29 50.84 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -84.72 158.58 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 108.909 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -50.92 -37.31 43.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.736 -1.227 . . . . 0.0 108.439 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.2 p -62.89 -42.82 99.91 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.385 -0.822 . . . . 0.0 109.703 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 84.7 mt-10 -70.0 -40.01 75.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.78 -32.75 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 0.0 108.204 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.07 -40.05 84.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -65.89 -41.51 91.44 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -60.02 -50.0 75.44 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.624 -0.672 . . . . 0.0 109.488 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.01 -40.19 67.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.594 -1.316 . . . . 0.0 110.692 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -75.57 -25.47 57.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.351 -1.468 . . . . 0.0 110.697 -178.59 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 54.8 t-20 -89.71 -30.02 18.34 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.923 -1.111 . . . . 0.0 111.061 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 13.8 mp0 -95.53 -20.07 19.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.218 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 41' ' ' SER . 14.1 mt -112.89 56.97 0.67 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.102 -0.999 . . . . 0.0 108.465 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 40' ' ' LEU . 22.7 t -49.07 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -111.93 -4.03 14.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.359 -0.838 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 87.0 m-85 -69.99 -29.97 67.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.392 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.52 -159.32 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 138.38 11.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.117 -0.989 . . . . 0.0 110.261 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 41' ' ' SER . 18.0 tp10 -99.62 120.13 39.18 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 mm -92.84 118.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 122.197 0.999 . . . . 0.0 109.464 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.76 -10.77 1.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -122.93 149.35 44.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.631 -0.668 . . . . 0.0 110.0 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.2 -22.79 62.89 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 8.2 pt-20 -60.03 -43.12 95.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.484 -0.76 . . . . 0.0 110.478 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 47' ' ' ILE . 36.3 t -63.66 -46.86 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' MET . 39.6 t -59.99 -45.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.726 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -61.95 -46.89 87.31 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.618 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -69.38 -38.5 78.05 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.74 -36.79 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.1 mmm -70.02 -41.03 74.85 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.15 -31.05 71.49 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.334 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.26 -54.39 2.62 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' MET . 27.7 t0 -82.29 58.22 3.96 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.74 2.07 2.14 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.997 0.903 . . . . 0.0 108.743 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -73.67 -34.02 64.73 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 10.05 84.2 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 106.896 -2.481 . . . . 0.0 106.896 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.2 p-10 -79.65 1.4 26.39 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.93 76.58 Favored Glycine 0 N--CA 1.485 1.921 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.2 mt-10 -142.88 153.48 43.19 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.513 -0.993 . . . . 0.0 110.171 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 1.3 t -130.05 123.04 29.54 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -81.17 165.45 21.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.111 -0.993 . . . . 0.0 109.173 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.64 -40.02 62.35 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.025 -1.047 . . . . 0.0 108.905 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.25 -40.7 97.05 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.08 -1.012 . . . . 0.0 109.494 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -70.12 -40.32 74.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.981 -1.074 . . . . 0.0 109.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.513 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.7 t80 -65.93 -39.99 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.2 -32.62 71.26 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.78 65.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.291 -0.881 . . . . 0.0 110.305 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.88 -40.68 89.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.883 -1.135 . . . . 0.0 108.248 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -62.13 -49.78 82.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 108.467 179.186 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.9 p -63.67 -41.97 98.11 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.413 0.625 . . . . 0.0 109.932 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 ttp -60.96 -45.17 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.823 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 t -80.04 -28.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.325 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.1 m -60.48 -40.05 89.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.766 -1.209 . . . . 0.0 109.132 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -67.27 -39.98 86.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.606 -0.684 . . . . 0.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.0 -42.13 93.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.272 -0.893 . . . . 0.0 109.703 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.48 -40.02 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.118 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.425 -0.797 . . . . 0.0 109.912 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.045 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.299 -1.588 0 O-C-N 121.114 -0.991 . . . . 0.0 109.037 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.333 0.587 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.05 88.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.282 -0.886 . . . . 0.0 109.308 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.04 -31.69 70.21 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.046 -1.034 . . . . 0.0 110.763 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE2' ' CG ' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.05 -51.78 68.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.966 -1.084 . . . . 0.0 110.733 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.9 72.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.645 -1.285 . . . . 0.0 109.051 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.0 95.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.366 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.98 -38.49 82.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.45 -0.781 . . . . 0.0 109.662 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.89 -39.96 81.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.09 -42.29 99.59 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.651 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' A' ' 10' ' ' LEU . 91.3 mt -63.11 -40.0 96.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.888 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.41 -40.07 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 0.0 109.6 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.99 -39.55 75.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.049 -1.032 . . . . 0.0 109.455 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 9' ' ' ALA . 55.5 t -59.28 -38.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -53.78 -49.98 67.08 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.07 -1.019 . . . . 0.0 109.799 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' B' ' 15' ' ' HIS . 35.3 t-80 -79.09 -24.72 43.26 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.224 -0.923 . . . . 0.0 111.339 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.96 -44.51 94.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.101 -0.999 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.549 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -105.31 -29.28 10.38 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.945 -1.097 . . . . 0.0 111.064 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.1 t -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.926 -1.109 . . . . 0.0 109.946 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.83 3.63 63.92 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.3 ttt-85 -62.25 -47.8 82.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.921 -1.341 . . . . 0.0 109.138 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 96.3 mt-10 -149.88 160.05 43.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.388 -0.82 . . . . 0.0 109.485 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.92 -171.52 31.07 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.32 158.05 24.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.443 -1.033 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' CD2' ' B' ' 15' ' ' HIS . 48.6 mtpt -80.01 -10.41 59.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -73.9 -35.78 64.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.437 -0.789 . . . . 0.0 110.685 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -129.99 157.81 41.32 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.238 -0.914 . . . . 0.0 110.65 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -119.54 126.2 50.66 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -84.54 158.82 20.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 108.832 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.24 -37.16 45.49 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.752 -1.217 . . . . 0.0 108.414 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -62.94 -42.85 99.94 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.399 -0.813 . . . . 0.0 109.69 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 85.8 mt-10 -69.95 -40.05 75.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.979 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.57 -33.03 73.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.96 -1.087 . . . . 0.0 108.121 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.79 -39.99 82.72 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -66.15 -41.41 90.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.706 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.01 -49.97 75.59 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.555 -0.716 . . . . 0.0 109.453 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.681 -1.262 . . . . 0.0 110.675 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -75.47 -25.37 57.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.445 -1.409 . . . . 0.0 110.701 -178.513 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 54.9 t-20 -89.83 -29.97 18.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.895 -1.128 . . . . 0.0 111.027 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 14.1 mp0 -95.67 -20.07 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.821 -1.174 . . . . 0.0 109.866 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.66 56.45 0.67 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.092 -1.005 . . . . 0.0 108.42 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.9 t -48.85 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -111.76 -4.13 14.75 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.47 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 87.0 m-85 -69.95 -30.04 67.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.765 . . . . 0.0 109.39 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.57 -159.38 0.95 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 138.31 10.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.129 -0.982 . . . . 0.0 110.27 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 41' ' ' SER . 18.0 tp10 -99.77 120.04 39.1 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.441 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.7 mm -92.71 118.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 122.171 0.986 . . . . 0.0 109.575 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.87 -10.68 1.55 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -123.1 149.31 44.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.647 -0.658 . . . . 0.0 110.059 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.17 -22.72 62.94 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 8.3 pt-20 -60.01 -43.1 95.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.482 -0.761 . . . . 0.0 110.41 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' B' ' 47' ' ' ILE . 35.6 t -63.62 -46.89 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.2 t -60.0 -45.43 95.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.803 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -62.03 -46.67 88.15 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.662 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.84 -38.26 76.44 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.61 -36.94 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.2 mmm -70.15 -40.67 74.61 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.57 -30.72 71.53 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -68.72 -40.07 80.1 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.283 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.47 -54.13 2.65 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 57' ' ' MET . 27.1 t0 -82.34 58.39 4.06 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.85 2.14 2.17 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.003 0.906 . . . . 0.0 108.736 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.1 m-20 -73.73 -34.05 64.61 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.39 10.1 84.01 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.2 p-10 -79.66 1.48 26.13 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.71 29.83 76.3 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.294 -1.922 . . . . 0.0 108.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.2 mt-10 -142.75 153.37 43.23 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.544 -0.974 . . . . 0.0 110.264 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 1.3 t -130.1 122.97 29.32 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.12 165.57 21.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.127 -0.983 . . . . 0.0 109.255 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.74 -40.07 62.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.001 -1.062 . . . . 0.0 108.929 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.2 -40.64 96.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.021 -1.05 . . . . 0.0 109.481 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.07 -40.47 75.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.969 -1.082 . . . . 0.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.51 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.7 t80 -65.84 -40.02 91.35 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.11 -32.75 71.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.74 65.78 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.307 -0.871 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.96 -40.96 90.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.88 -1.138 . . . . 0.0 108.11 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -49.86 82.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 108.532 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -63.79 -42.16 97.78 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.3 ttp -60.62 -45.2 94.94 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.866 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 t -80.0 -28.78 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.009 -1.057 . . . . 0.0 109.337 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -60.51 -39.98 89.76 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.753 -1.217 . . . . 0.0 109.144 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -67.24 -39.97 86.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.627 -0.67 . . . . 0.0 109.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -59.98 -42.16 93.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.68 -40.0 93.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.101 -0.999 . . . . 0.0 109.103 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.99 87.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.454 -0.779 . . . . 0.0 109.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.03 -39.99 87.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.291 -0.881 . . . . 0.0 110.087 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 . . . . . 0 C--N 1.3 -1.582 0 O-C-N 121.159 -0.963 . . . . 0.0 109.041 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -60.25 -39.97 88.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 108.661 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 83' ' ' ALA . 89.0 mt -63.24 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.023 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.301 -1.503 0 O-C-N 121.417 -0.802 . . . . 0.0 108.907 -178.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.13 -40.05 88.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 108.57 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' B' ' 83' ' ' ALA . 88.2 mt -63.34 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.366 -0.834 . . . . 0.0 110.06 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.02 -39.98 87.71 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 0.0 109.003 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.608 -179.648 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.313 0.578 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -37.23 86.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.0 108.993 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.23 -24.05 67.53 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.965 -1.085 . . . . 0.0 110.824 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.711 -1.243 . . . . 0.0 110.058 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -33.33 71.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.2 . . . . 0.0 109.013 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.49 92.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 62.1 tpp -59.97 -40.69 89.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 0.0 109.039 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -40.12 82.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.78 96.05 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.515 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.13 -39.89 82.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.898 -1.126 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.71 -41.48 90.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.104 -0.998 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.88 -40.46 68.91 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 109.361 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 t -60.02 -32.02 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 56.4 t80 -60.01 -50.0 75.44 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.389 -0.925 . . . . 0.0 109.401 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -72.97 -27.9 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -0.947 . . . . 0.0 111.993 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.024 -1.047 . . . . 0.0 111.689 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.47 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 60.6 m-85 -117.01 -21.77 8.75 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.989 -1.069 . . . . 0.0 111.508 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.434 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 83.0 p -66.56 -36.71 83.33 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.438 -1.414 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.88 8.36 79.9 Favored Glycine 0 N--CA 1.495 2.594 0 C-N-CA 119.606 -1.283 . . . . 0.0 110.565 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -73.69 -40.02 63.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.677 -1.484 . . . . 0.0 109.65 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -147.72 153.02 38.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.27 -0.894 . . . . 0.0 109.111 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.88 -169.25 48.84 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -76.44 150.87 36.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.294 -1.121 . . . . 0.0 109.323 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.07 -39.07 88.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.697 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -79.94 -2.99 46.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.348 -0.845 . . . . 0.0 111.522 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.19 148.15 51.1 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.863 -1.148 . . . . 0.0 110.048 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.3 mt -120.01 112.26 18.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.626 -0.672 . . . . 0.0 109.28 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 24.4 ttpp -84.15 149.58 26.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.982 -1.074 . . . . 0.0 108.503 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.3 ptmt -40.41 -39.97 1.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.723 -0.61 . . . . 0.0 110.468 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.513 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -64.68 -44.37 90.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.176 -0.953 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 38.1 tt0 -69.32 -32.45 71.58 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.075 -1.016 . . . . 0.0 108.564 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.07 -36.04 79.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.622 -0.674 . . . . 0.0 109.297 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -59.94 -45.31 93.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.442 -0.786 . . . . 0.0 110.086 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.04 -34.44 73.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.039 -1.038 . . . . 0.0 109.693 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.02 -52.31 65.91 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.361 -0.837 . . . . 0.0 109.63 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.97 -43.73 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.01 -38.16 81.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.891 . . . . 0.0 110.979 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.4 t30 -82.75 -36.26 25.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.922 -1.111 . . . . 0.0 111.185 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -77.85 -40.74 39.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.361 -1.462 . . . . 0.0 108.496 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' SER . 11.8 mt -101.47 49.32 0.87 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 40' ' ' LEU . 24.7 m -47.25 -93.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.154 -0.966 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -116.59 -8.07 11.53 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.417 -0.802 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 108.716 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.75 -154.79 0.59 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -53.97 134.09 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.621 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 86.2 tt0 -106.81 122.29 46.1 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.04 109.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.966 0.889 . . . . 0.0 110.148 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -127.75 -8.04 5.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.9 tp10 -123.49 136.95 54.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.2 -23.4 67.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.257 -0.902 . . . . 0.0 109.955 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.4 pt-20 -59.74 -40.19 87.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.847 . . . . 0.0 110.067 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' VAL . 16.0 t -63.54 -49.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.0 t -59.94 -45.3 95.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.963 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -61.93 -46.11 90.78 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.143 -1.423 . . . . 0.0 108.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.13 -38.98 75.69 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.309 -0.87 . . . . 0.0 109.666 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' VAL . 41.8 t -76.48 -32.86 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-O 121.656 0.741 . . . . 0.0 109.092 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -70.66 -46.0 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.85 -31.45 72.64 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -69.58 -39.95 77.02 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.533 0.683 . . . . 0.0 109.432 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' O ' ' A' ' 72' ' ' GLU . 20.9 tp -91.12 -57.75 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 13.5 t0 -82.55 58.07 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -66.94 4.26 0.89 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.727 0.775 . . . . 0.0 109.247 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.9 m-20 -76.26 -26.72 56.25 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.39 10.05 85.81 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.7 p-10 -86.92 0.01 55.76 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.95 28.39 73.07 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 48.4 mt-10 -146.05 153.81 41.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.407 -1.055 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -129.84 126.51 38.2 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.106 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.37 170.05 16.48 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.883 -1.136 . . . . 0.0 109.095 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 32.8 p90 -57.14 -41.02 78.32 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.204 -0.999 . . . . 0.0 108.601 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 20.3 tm0? -59.97 -41.12 91.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.208 -0.932 . . . . 0.0 108.92 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' HD11 ' A' ' 60' ' ' LEU . 43.1 mt-10 -63.13 -40.05 96.47 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.308 -0.87 . . . . 0.0 109.053 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.03 -39.02 84.44 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.99 -34.16 72.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.14 71.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 110.577 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.0 -40.05 87.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.717 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.4 t -59.97 -40.0 81.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -59.92 -40.94 90.58 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.914 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -63.26 -46.47 86.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.93 -28.31 11.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -66.0 -40.06 90.82 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.037 -1.039 . . . . 0.0 108.676 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 p -74.7 -40.01 61.61 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.748 -0.595 . . . . 0.0 109.97 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.53 91.45 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 0.0 109.745 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.79 -44.15 90.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.203 -0.936 . . . . 0.0 109.406 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -62.74 -40.12 96.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.413 -0.804 . . . . 0.0 109.868 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.12 -39.89 87.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 C--N 1.301 -1.541 0 O-C-N 121.238 -0.914 . . . . 0.0 109.68 -179.324 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.317 0.579 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 108.945 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.72 -24.23 67.69 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.043 -1.035 . . . . 0.0 110.796 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -50.02 75.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.723 -1.236 . . . . 0.0 110.034 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.85 69.95 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.732 -1.23 . . . . 0.0 109.005 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.73 92.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 0.0 109.267 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.5 tpp -60.12 -40.75 90.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.902 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.07 -39.92 81.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.63 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.463 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.28 -40.02 81.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.138 . . . . 0.0 109.234 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.55 -41.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.127 -0.983 . . . . 0.0 109.097 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.73 -40.41 69.43 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.817 -1.177 . . . . 0.0 109.485 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.04 -32.14 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.81 -50.01 75.48 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.357 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -72.98 -27.86 62.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.198 -0.939 . . . . 0.0 112.065 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.92 -39.96 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.009 -1.057 . . . . 0.0 111.713 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 60.5 m-85 -117.28 -21.71 8.61 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.01 -1.056 . . . . 0.0 111.474 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 83.2 p -66.6 -36.75 83.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.534 -1.354 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.72 8.2 80.16 Favored Glycine 0 N--CA 1.495 2.615 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.618 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -73.5 -39.94 64.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.737 -1.449 . . . . 0.0 109.707 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -147.87 152.68 38.01 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.084 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.85 -169.22 48.79 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -76.49 150.78 36.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 109.295 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.02 -39.04 88.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 109.69 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -80.02 -3.0 46.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 111.448 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -129.27 148.25 51.18 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.903 -1.123 . . . . 0.0 110.115 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' B' ' 68' ' ' CYS . 20.6 mt -120.08 112.19 18.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.685 -0.634 . . . . 0.0 109.335 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' NZ ' ' OG ' ' B' ' 30' ' ' SER . 24.5 ttpp -83.96 149.63 26.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.908 -1.12 . . . . 0.0 108.553 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 17.2 ptmt -40.25 -39.93 1.03 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.47 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.531 ' OG ' ' NZ ' ' B' ' 28' ' ' LYS . 60.3 p -65.05 -44.02 90.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 110.265 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 38.0 tt0 -69.51 -32.54 71.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.047 -1.033 . . . . 0.0 108.541 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.04 -35.94 79.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.663 -0.648 . . . . 0.0 109.307 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.09 -45.43 92.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 0.0 109.969 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.05 -34.34 73.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -52.26 66.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.99 -43.63 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 110.181 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.04 -38.21 82.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.421 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.3 t30 -82.72 -36.15 26.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.915 -1.115 . . . . 0.0 111.25 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.93 -40.77 38.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.496 -1.377 . . . . 0.0 108.445 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 41' ' ' SER . 11.8 mt -101.49 49.32 0.87 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 40' ' ' LEU . 21.0 m -47.29 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -116.56 -8.28 11.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.422 -0.799 . . . . 0.0 109.515 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.98 -30.74 68.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.67 -154.6 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.21 134.42 44.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.107 . . . . 0.0 109.522 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' B' ' 48' ' ' LYS . 86.2 tt0 -106.96 122.79 47.13 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mm -92.5 109.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.044 0 CA-C-O 121.92 0.867 . . . . 0.0 110.033 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -127.62 -8.18 5.66 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.122 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 50.1 tp10 -123.31 136.93 54.91 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.13 -23.11 67.2 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.256 -0.903 . . . . 0.0 110.044 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.514 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -60.0 -40.25 88.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.378 -0.826 . . . . 0.0 110.008 -178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.4 t -63.51 -48.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 57' ' ' MET . 3.8 t -60.03 -45.23 95.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.072 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.98 -46.13 90.59 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.204 -1.398 . . . . 0.0 108.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.15 -38.88 75.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.36 -0.838 . . . . 0.0 109.748 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -76.65 -32.85 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-O 121.656 0.741 . . . . 0.0 109.045 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 53' ' ' VAL . 9.6 tpt -70.5 -46.21 64.14 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.92 -31.34 72.49 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.41 -39.86 77.65 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.561 0.696 . . . . 0.0 109.519 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.558 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.9 tp -91.24 -57.85 2.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 13.1 t0 -82.46 57.79 3.85 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -66.51 4.0 0.85 Allowed 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.727 0.775 . . . . 0.0 109.277 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.0 m-20 -76.11 -26.77 56.73 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 10.03 85.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.6 p-10 -86.94 -0.03 55.87 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.0 28.22 73.2 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.542 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 48.5 mt-10 -145.9 153.7 41.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.339 -1.095 . . . . 0.0 110.801 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -129.65 126.48 38.47 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.51 170.01 16.43 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.042 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 33.2 p90 -56.72 -41.43 77.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.113 -0.992 . . . . 0.0 108.554 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.549 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 20.4 tm0? -59.99 -40.97 90.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.96 . . . . 0.0 108.867 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.558 ' O ' HD11 ' B' ' 60' ' ' LEU . 43.1 mt-10 -63.22 -39.93 96.04 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.248 -0.908 . . . . 0.0 109.057 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.03 -38.98 84.31 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.2 tpt -60.06 -34.05 72.88 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.84 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.03 -40.13 88.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.85 -1.156 . . . . 0.0 108.837 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -59.99 -41.09 91.3 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.905 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtm -63.16 -46.57 86.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.114 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.79 -28.31 11.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.054 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.6 m -66.05 -39.94 90.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.118 -0.989 . . . . 0.0 108.798 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -74.78 -39.98 61.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 109.986 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.45 91.23 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.93 -44.05 90.75 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 109.444 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.89 -40.06 96.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 109.791 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.03 -39.95 87.65 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.341 -0.85 . . . . 0.0 110.569 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.932 . . . . 0.0 109.679 -179.338 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.15 -34.05 74.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.293 -0.88 . . . . 0.0 109.283 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 99.3 mt -60.01 -40.39 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 110.148 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.137 . . . . 0.0 108.862 -179.581 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.21 -34.08 74.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.254 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.04 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.888 . . . . 0.0 110.171 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -56.18 -40.06 73.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.825 -1.172 . . . . 0.0 108.924 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.535 179.786 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.7 -39.78 91.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.178 -0.952 . . . . 0.0 109.504 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -26.54 68.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.586 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.8 tt0 -60.02 -48.81 80.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.946 -1.096 . . . . 0.0 110.524 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -66.62 -39.68 88.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.593 -1.317 . . . . 0.0 109.471 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.34 87.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.299 -0.875 . . . . 0.0 110.19 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.3 -42.54 95.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.832 -1.167 . . . . 0.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.06 -40.28 82.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.41 94.07 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.802 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.14 -40.5 94.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.027 -1.046 . . . . 0.0 108.799 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -68.2 -40.3 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.702 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -74.07 -40.1 63.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.609 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.08 -34.9 58.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.97 -50.01 75.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.515 -0.741 . . . . 0.0 109.742 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -72.01 -31.8 66.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.533 -0.729 . . . . 0.0 110.767 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.49 89.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 111.427 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -93.08 -28.22 16.48 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.779 -1.2 . . . . 0.0 111.024 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -65.83 -38.69 89.59 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.27 3.24 32.26 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.176 -0.952 . . . . 0.0 110.908 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -60.07 -47.39 86.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.35 . . . . 0.0 109.045 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -168.19 158.46 10.15 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.457 -0.777 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.12 -165.91 51.14 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 55.9 t0 -79.53 142.15 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.441 -1.035 . . . . 0.0 109.664 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.3 mtmp? -69.44 -27.77 65.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.473 -0.767 . . . . 0.0 109.954 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.99 -18.29 61.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.584 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.77 149.66 51.42 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.204 -0.935 . . . . 0.0 110.585 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.93 130.48 56.51 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpp -96.32 150.41 20.59 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.126 -0.984 . . . . 0.0 108.715 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.0 mtmt -37.44 -49.68 1.04 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.693 -0.629 . . . . 0.0 110.487 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -60.1 -39.92 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.052 -1.03 . . . . 0.0 109.794 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.1 mt-10 -64.34 -39.96 94.94 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 0.0 108.998 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.43 -37.27 80.12 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.38 -0.825 . . . . 0.0 109.11 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.49 -40.08 74.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.046 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.42 -40.53 81.17 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.059 -1.057 . . . . 0.0 108.255 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 73' ' ' PHE . 24.6 tp -60.0 -51.04 71.36 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.611 -0.681 . . . . 0.0 110.41 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.97 -40.6 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.065 -1.022 . . . . 0.0 110.567 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.46 -28.98 62.24 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.176 -1.578 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -86.65 -50.53 6.73 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.051 -1.031 . . . . 0.0 110.739 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' HD22 ' A' ' 40' ' ' LEU . 70.4 mm-40 -83.3 -43.51 15.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.938 -1.101 . . . . 0.0 110.706 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -98.76 30.99 3.08 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 40' ' ' LEU . 39.4 t -42.66 -104.07 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.264 0.554 . . . . 0.0 111.988 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 50.7 p-80 -92.53 -8.12 45.36 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.903 -1.123 . . . . 0.0 110.173 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.4 m-85 -69.1 -39.75 78.81 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.209 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 45' ' ' GLU . 10.7 mt -142.49 122.42 13.6 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -0.751 . . . . 0.0 109.683 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' LEU . 17.7 tp10 40.64 103.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.833 -0.542 . . . . 0.0 111.645 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -81.3 119.03 23.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -81.86 108.17 14.67 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.422 0 CA-C-O 121.971 0.891 . . . . 0.0 109.181 -178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.85 -15.68 10.65 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 80.2 mt-10 -122.77 152.92 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.818 0.818 . . . . 0.0 110.387 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.37 -21.19 60.58 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.54 -43.32 97.31 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.023 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.5 t -59.99 -49.58 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.5 t -60.34 -47.17 93.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.276 -0.875 . . . . 0.0 108.981 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.22 -43.71 95.79 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.196 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -70.01 -38.93 76.08 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.39 -0.819 . . . . 0.0 109.38 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.56 -31.75 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.098 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 53' ' ' VAL . 12.5 tpt -72.12 -41.84 66.73 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.13 -30.13 70.19 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 m -64.07 -32.68 74.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.295 0.569 . . . . 0.0 109.686 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 39.1 mt -104.45 -50.64 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 66.8 t0 -72.27 56.01 0.34 Allowed 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -66.49 7.93 0.29 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.701 0.762 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.8 m-20 -95.08 -27.81 15.41 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 10.08 85.98 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.0 p-10 -80.4 3.06 22.53 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.652 -0.911 . . . . 0.0 108.582 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.81 29.31 71.12 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.0 mt-10 -145.72 156.06 43.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.484 -1.01 . . . . 0.0 110.239 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.48 121.18 26.74 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -80.0 169.1 18.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 17.7 p90 -59.39 -39.94 84.97 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 53.3 tp60 -61.71 -40.35 94.72 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.359 -0.838 . . . . 0.0 108.801 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -70.03 -42.19 73.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.901 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.1 t80 -65.86 -34.56 78.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 108.96 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -32.05 70.49 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 108.777 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.25 65.33 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.018 -1.051 . . . . 0.0 109.742 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 66.4 t80 -60.0 -41.44 92.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.128 -0.983 . . . . 0.0 109.521 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -66.0 -40.59 87.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 120.969 -1.082 . . . . 0.0 108.49 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -65.21 -43.13 92.5 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.759 -0.588 . . . . 0.0 111.127 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -73.75 -39.99 63.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.857 -1.152 . . . . 0.0 110.813 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 42.7 t -77.49 -32.69 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.801 -1.187 . . . . 0.0 108.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -65.69 -39.84 91.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.975 -1.078 . . . . 0.0 108.23 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -63.92 -40.01 95.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.99 -41.63 92.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.058 -1.026 . . . . 0.0 108.54 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.38 -40.08 89.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.47 -0.769 . . . . 0.0 108.959 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.6 -6.16 10.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.53 -0.731 . . . . 0.0 110.4 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.085 -179.503 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.532 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.83 -26.64 68.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -0.913 . . . . 0.0 110.433 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.8 tt0 -59.73 -49.34 78.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.001 -1.062 . . . . 0.0 110.413 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.0 ptmt -66.34 -39.53 89.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.538 -1.352 . . . . 0.0 109.546 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -66.84 -41.62 87.13 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.896 . . . . 0.0 110.179 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 ttm -60.08 -42.53 94.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.819 -1.176 . . . . 0.0 109.001 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.98 -40.56 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.78 93.05 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.707 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.84 -40.66 93.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.981 -1.075 . . . . 0.0 108.879 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -68.07 -40.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 108.787 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -74.09 -40.11 62.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.086 -1.009 . . . . 0.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.7 t -60.09 -35.06 59.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.9 -50.02 75.41 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -71.77 -32.08 67.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.649 -0.657 . . . . 0.0 110.804 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.26 89.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 111.378 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -93.08 -28.01 16.61 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.654 -1.279 . . . . 0.0 111.106 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -65.82 -38.88 90.12 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.961 -1.087 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.95 3.04 30.66 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.197 -0.939 . . . . 0.0 111.026 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -60.06 -47.4 86.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.886 -1.361 . . . . 0.0 109.078 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -168.24 158.37 9.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 109.621 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.98 -165.93 51.38 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 55.4 t0 -79.23 142.21 36.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.048 . . . . 0.0 109.808 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.51 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 8.4 mtmp? -69.43 -27.99 65.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -0.801 . . . . 0.0 109.933 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.73 -18.9 61.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.898 . . . . 0.0 110.631 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.15 149.87 50.78 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.135 -0.978 . . . . 0.0 110.643 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.84 130.55 56.46 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 31' ' ' GLU . 24.5 ttpp -96.27 150.48 20.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.149 -0.969 . . . . 0.0 108.668 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.8 mtmt -37.52 -49.65 1.07 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.692 -0.63 . . . . 0.0 110.489 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -59.96 -40.25 88.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.0 109.795 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 37.9 mt-10 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.0 109.124 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.25 -37.79 81.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.116 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -56.28 -40.06 73.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 108.989 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.16 -40.84 82.22 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.431 HD21 ' CE1' ' B' ' 73' ' ' PHE . 25.3 tp -59.99 -51.12 71.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.544 -0.722 . . . . 0.0 110.423 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.6 -41.02 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.047 -1.033 . . . . 0.0 110.574 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -73.33 -28.66 62.19 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.17 -1.581 . . . . 0.0 110.572 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -86.91 -50.53 6.63 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.907 -1.121 . . . . 0.0 110.722 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' C ' HD22 ' B' ' 40' ' ' LEU . 70.3 mm-40 -83.2 -43.59 15.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.952 -1.093 . . . . 0.0 110.7 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -98.68 31.03 3.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.448 ' O ' ' O ' ' B' ' 40' ' ' LEU . 39.0 t -42.69 -103.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.773 -0.58 . . . . 0.0 112.137 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.0 p-80 -92.98 -7.93 44.49 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.882 -1.137 . . . . 0.0 110.176 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 87.3 m-85 -69.19 -39.86 78.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 45' ' ' GLU . 10.6 mt -142.44 122.63 13.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.784 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 44' ' ' LEU . 17.9 tp10 40.23 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 178.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.34 118.93 23.06 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 27.5 mm -81.78 108.28 14.72 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.93 0.871 . . . . 0.0 109.278 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.99 -15.59 10.58 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -122.76 152.57 40.5 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.766 0.793 . . . . 0.0 110.438 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.34 -21.28 60.58 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.38 -43.31 96.73 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.44 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.4 t -60.08 -49.57 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.5 t -60.37 -47.22 93.32 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.95 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.32 -43.45 96.35 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.217 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.06 -39.18 75.82 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.305 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -76.17 -31.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 CA-C-O 121.649 0.738 . . . . 0.0 109.101 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.6 tpt -71.95 -41.8 67.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.22 -30.08 70.22 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -64.24 -32.72 74.42 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 41.4 mt -104.13 -50.97 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 66.6 t0 -71.95 55.82 0.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.3 mt-10 -66.34 7.99 0.27 Allowed 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.702 0.763 . . . . 0.0 109.051 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.8 m-20 -95.12 -27.96 15.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.11 85.91 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.578 -1.809 . . . . 0.0 108.578 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.4 p-10 -80.48 3.35 21.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.585 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.52 29.07 71.71 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -145.68 155.84 43.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.454 -1.027 . . . . 0.0 110.353 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -129.69 121.21 26.5 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -79.79 169.09 18.44 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 109.554 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 18.8 p90 -59.43 -40.03 85.42 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 53.9 tp60 -61.54 -40.41 94.59 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.265 -0.897 . . . . 0.0 108.925 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -69.98 -42.0 73.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.137 -0.977 . . . . 0.0 109.825 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.5 t80 -65.97 -34.49 78.23 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 109.079 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -31.92 70.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.149 -0.969 . . . . 0.0 108.931 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.32 65.05 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.079 -1.013 . . . . 0.0 109.75 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' B' ' 80' ' ' VAL . 67.0 t80 -59.96 -41.2 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.147 -0.971 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -40.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 108.399 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -64.83 -43.32 93.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.809 -0.557 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.6 -40.0 64.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.82 -1.175 . . . . 0.0 110.907 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' B' ' 76' ' ' PHE . 44.6 t -77.68 -32.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.742 -1.224 . . . . 0.0 109.139 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 49.4 m -65.92 -39.98 91.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.002 -1.062 . . . . 0.0 108.163 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -63.57 -40.15 96.25 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.18 91.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.5 m -59.92 -41.31 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.973 -1.079 . . . . 0.0 108.596 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.74 -39.76 89.9 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.03 -5.78 10.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.687 -0.633 . . . . 0.0 110.394 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 120.994 -1.066 . . . . 0.0 110.127 -179.378 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.06 -39.87 75.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.619 -0.676 . . . . 0.0 109.724 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.34 -53.91 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.197 -0.939 . . . . 0.0 110.352 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.303 -1.453 0 O-C-N 121.44 -0.788 . . . . 0.0 109.295 -178.153 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -69.96 -39.93 75.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.94 -55.09 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.18 -39.8 87.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.356 -0.84 . . . . 0.0 109.521 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.386 179.859 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 86.4 tt0 -60.5 -39.96 89.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.373 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.44 -23.26 37.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.5 -0.75 . . . . 0.0 110.258 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.0 tt0 -59.96 -49.45 77.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 7.7 pttt -69.54 -29.41 66.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.778 -1.201 . . . . 0.0 109.154 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -75.52 -40.34 57.15 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.546 -0.721 . . . . 0.0 110.467 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.7 ttm -60.02 -45.34 93.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 110.059 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -61.61 -39.6 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.02 93.93 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.758 -0.589 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.86 -41.11 92.07 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.411 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.3 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.142 -0.974 . . . . 0.0 108.975 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.25 -42.54 54.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.335 -0.853 . . . . 0.0 109.967 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.5 -34.51 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' A' ' 18' ' ' SER . 86.1 t80 -59.08 -48.06 82.98 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 109.057 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -69.95 -30.67 68.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.198 -0.939 . . . . 0.0 110.952 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' OE1' ' B' ' 2' ' ' GLU . 77.0 mt-30 -59.9 -45.5 92.35 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.773 -1.205 . . . . 0.0 112.177 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' A' ' 35' ' ' LEU . 32.1 p90 -104.71 -28.62 11.1 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.776 -1.203 . . . . 0.0 110.714 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 93.6 p -60.08 -38.09 81.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.44 -1.413 . . . . 0.0 108.683 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.72 9.82 10.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -60.14 -37.31 79.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -1.106 . . . . 0.0 109.701 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -140.34 168.59 19.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.269 -0.894 . . . . 0.0 109.953 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.27 -29.64 16.4 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 26' ' ' LYS . 49.3 t0 -69.7 65.59 0.21 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.754 -1.439 . . . . 0.0 109.769 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' GLY . 54.7 mttm -72.65 -33.26 66.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.798 . . . . 0.0 109.666 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -70.68 -34.34 71.89 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.554 -0.716 . . . . 0.0 110.635 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 91.9 mttt -129.78 156.3 44.54 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.226 -0.921 . . . . 0.0 110.088 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -106.19 124.51 49.7 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.474 -0.767 . . . . 0.0 109.044 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' GLU . 78.7 tttt -91.46 151.86 20.61 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.0 108.616 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.2 ptpt -41.22 -39.56 1.37 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.382 -0.824 . . . . 0.0 110.034 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.5 p -63.61 -40.62 97.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.154 -0.966 . . . . 0.0 109.378 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' LYS . 43.4 mt-10 -67.43 -40.25 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.175 -0.953 . . . . 0.0 109.055 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -67.66 -40.02 84.5 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -59.89 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.443 -0.785 . . . . 0.0 109.352 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.4 mt -72.36 -42.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 120.592 -1.317 . . . . 0.0 110.24 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -73.63 -24.01 59.96 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.463 -1.398 . . . . 0.0 110.967 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -90.09 -33.96 16.09 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.7 -1.25 . . . . 0.0 111.463 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 39.5 mp0 -109.01 -32.75 7.13 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.856 -1.153 . . . . 0.0 111.049 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mm? -99.95 19.53 16.03 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.877 -1.139 . . . . 0.0 108.174 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 79.7 p -44.59 -101.21 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.813 -0.554 . . . . 0.0 111.932 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.545 ' N ' ' OG ' ' A' ' 41' ' ' SER . 55.6 t-80 -87.11 -22.39 25.42 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.154 -0.966 . . . . 0.0 111.391 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 97.3 m-85 -61.17 -30.18 70.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.648 -1.283 . . . . 0.0 108.801 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -141.36 -155.62 0.6 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -50.42 137.75 18.34 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.697 -1.252 . . . . 0.0 110.96 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 7.5 pt-20 -100.2 122.02 42.37 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 52' ' ' VAL . 40.4 mm -91.36 120.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 CA-C-O 122.032 0.92 . . . . 0.0 109.809 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.612 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -133.96 -12.02 2.58 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -122.03 153.0 39.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 0.0 110.329 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -72.47 -23.28 61.02 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.5 pt-20 -60.25 -45.54 92.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.401 -0.812 . . . . 0.0 110.136 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 47' ' ' ILE . 24.3 t -61.97 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 57' ' ' MET . 40.9 t -60.99 -44.02 97.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.844 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -63.73 -44.79 92.52 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.297 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 55' ' ' LYS . 9.1 mtpm? -69.36 -39.2 78.23 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.582 0.706 . . . . 0.0 109.192 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.25 -33.09 19.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.574 -0.704 . . . . 0.0 109.615 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.54 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.2 tpt -74.66 -41.9 59.46 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.96 -30.91 71.24 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.448 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.5 m -63.63 -34.91 78.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.917 -0.489 . . . . 0.0 110.325 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.35 5.66 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 66.1 t0 -78.76 56.39 1.87 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.41 5.64 0.54 Allowed 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.085 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 61' ' ' ASP . 91.4 m-20 -88.58 -31.17 18.75 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.24 11.24 83.72 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 49.2 p-10 -84.52 4.84 30.03 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.42 36.57 92.72 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.8 mt-10 -145.37 153.75 41.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.272 -1.134 . . . . 0.0 110.449 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 122.29 23.9 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -80.02 168.85 18.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 5.5 p90 -54.71 -42.27 71.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.947 -1.096 . . . . 0.0 108.526 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.523 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.4 tt0 -60.73 -40.99 94.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -0.899 . . . . 0.0 109.819 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.59 -40.13 96.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.998 -1.064 . . . . 0.0 109.67 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.79 -40.22 87.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.341 -0.849 . . . . 0.0 109.132 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.4 mmm -60.26 -37.13 79.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.356 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.62 78.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 110.524 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -58.42 -40.5 82.65 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.962 -1.086 . . . . 0.0 108.851 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.1 t -60.65 -43.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.235 -0.915 . . . . 0.0 108.767 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -60.48 -42.35 96.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.568 -0.707 . . . . 0.0 109.919 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.95 -45.59 92.99 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.468 -0.77 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.51 -28.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.168 -0.958 . . . . 0.0 109.92 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 94.0 m -68.38 -39.7 81.67 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -69.62 -39.76 76.99 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.797 -0.564 . . . . 0.0 109.691 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.19 96.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.99 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.3 -40.92 98.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.356 -0.84 . . . . 0.0 109.946 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -60.02 -40.1 88.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.045 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.93 -21.85 65.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.708 -0.62 . . . . 0.0 110.374 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.5 t80 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -178.672 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 81.7 tt0 -60.74 -39.75 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.54 -22.98 36.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.554 -0.716 . . . . 0.0 110.364 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.6 tt0 -59.8 -49.68 76.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 110.67 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.5 pttt -69.57 -29.68 67.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.735 -1.228 . . . . 0.0 109.217 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -75.08 -40.38 60.17 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.5 -0.75 . . . . 0.0 110.367 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.29 -45.39 93.51 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.875 -1.14 . . . . 0.0 110.0 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.39 -39.85 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.22 94.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.659 -0.65 . . . . 0.0 109.841 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.33 -41.23 89.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.994 -1.066 . . . . 0.0 108.295 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -43.17 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.165 -0.96 . . . . 0.0 108.794 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.28 -42.34 55.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.362 -0.836 . . . . 0.0 110.049 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t -57.77 -34.73 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.1 t80 -58.71 -47.96 82.78 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 109.163 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -70.02 -30.75 68.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.193 -0.942 . . . . 0.0 110.979 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 2' ' ' GLU . 76.0 mt-30 -59.88 -45.66 91.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.758 -1.214 . . . . 0.0 112.087 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.509 ' CD1' HD23 ' B' ' 35' ' ' LEU . 31.3 p90 -104.52 -28.56 11.22 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.895 -1.128 . . . . 0.0 110.887 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 96.7 p -60.1 -38.09 81.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.488 -1.382 . . . . 0.0 108.545 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.89 9.79 10.63 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 20' ' ' ARG . 34.4 ttt-85 -60.15 -37.09 79.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.244 -1.15 . . . . 0.0 109.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.43 168.67 19.26 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -50.24 -29.44 15.86 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 26' ' ' LYS . 49.2 t0 -69.94 64.86 0.23 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.726 -1.455 . . . . 0.0 109.933 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' B' ' 22' ' ' GLY . 55.4 mttm -71.58 -33.94 69.49 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.662 0.744 . . . . 0.0 109.816 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -70.79 -34.59 71.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.667 -0.646 . . . . 0.0 110.545 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 90.9 mttt -129.54 156.95 43.34 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.102 -0.999 . . . . 0.0 110.2 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.5 123.75 48.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.571 -0.706 . . . . 0.0 109.127 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' B' ' 31' ' ' GLU . 81.1 tttt -91.08 151.27 21.07 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.2 ptpt -40.97 -39.05 1.08 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.358 -0.839 . . . . 0.0 110.18 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -63.74 -41.03 98.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.132 -0.98 . . . . 0.0 109.212 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.2 mt-10 -67.11 -40.0 86.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.317 -0.864 . . . . 0.0 109.023 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -68.27 -36.18 79.01 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.036 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.96 -39.89 72.45 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.73 -40.03 84.24 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.707 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -59.83 -49.12 78.94 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.474 -0.766 . . . . 0.0 109.415 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 36' ' ' ILE . 41.8 mt -72.54 -42.48 63.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.672 -1.267 . . . . 0.0 110.245 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -73.42 -23.97 60.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.52 -1.363 . . . . 0.0 111.033 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -89.97 -34.39 16.03 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.645 -1.284 . . . . 0.0 111.38 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 39.9 mp0 -108.34 -32.87 7.28 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.792 -1.193 . . . . 0.0 111.115 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.99 19.91 15.37 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.985 -1.072 . . . . 0.0 108.194 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 96.3 p -45.06 -100.86 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.669 -0.645 . . . . 0.0 112.008 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' B' ' 41' ' ' SER . 56.2 t-80 -87.03 -22.59 25.38 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.233 -0.917 . . . . 0.0 111.347 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.54 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 97.1 m-85 -61.11 -30.41 70.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.794 -1.191 . . . . 0.0 108.803 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -141.26 -155.22 0.57 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.356 -0.84 . . . . 0.0 108.752 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -51.05 138.22 20.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.656 -1.278 . . . . 0.0 110.968 -178.169 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 7.2 pt-20 -100.24 122.12 42.54 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' B' ' 52' ' ' VAL . 37.4 mm -91.66 121.07 41.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-O 122.037 0.922 . . . . 0.0 109.79 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.582 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -134.66 -11.43 2.37 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.639 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -122.2 153.17 39.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.616 0.722 . . . . 0.0 110.39 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.54 -23.46 60.99 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.1 pt-20 -59.99 -45.61 92.14 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 22.6 t -62.09 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.8 t -60.78 -44.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.775 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.41 -45.13 92.42 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.764 -1.21 . . . . 0.0 109.389 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.496 ' HB3' ' HZ3' ' B' ' 55' ' ' LYS . 9.0 mtpm? -69.28 -38.97 78.59 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.02 -33.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 121.588 0.709 . . . . 0.0 109.528 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' ASP . 8.6 tpt -74.74 -42.02 59.05 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.58 -31.38 71.43 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.454 ' C ' HD22 ' B' ' 60' ' ' LEU . 27.7 m -63.42 -34.82 78.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.912 -0.493 . . . . 0.0 110.502 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.505 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.03 5.75 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.3 t0 -79.37 56.14 2.06 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.22 6.02 0.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 CA-C-O 121.695 0.759 . . . . 0.0 109.093 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' ASP . 91.7 m-20 -88.73 -31.07 18.62 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.86 84.33 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.071 -2.011 . . . . 0.0 108.071 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.4 p-10 -84.37 5.18 28.04 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 60.75 36.92 92.72 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -145.51 153.38 41.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.294 -1.121 . . . . 0.0 110.481 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.91 122.57 24.53 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -80.19 168.38 19.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.163 -0.961 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 5.6 p90 -54.66 -41.75 70.51 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.005 -1.059 . . . . 0.0 108.527 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 60.7 tt0 -61.39 -40.8 95.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.175 -0.953 . . . . 0.0 109.642 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.78 -39.92 95.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 5.0 t80 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.923 . . . . 0.0 109.035 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.19 -37.27 79.71 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.359 -0.838 . . . . 0.0 109.267 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.96 77.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 110.639 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.0 -40.42 84.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.003 -1.061 . . . . 0.0 108.925 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.3 t -60.67 -43.92 95.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -60.45 -42.69 96.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.585 -0.697 . . . . 0.0 109.848 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.79 -45.47 93.71 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 110.505 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.56 -28.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 109.83 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.0 m -68.17 -39.93 82.41 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.3 m -69.27 -40.07 78.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.803 -0.561 . . . . 0.0 109.614 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.6 97.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.268 -0.895 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.46 -40.72 97.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.815 . . . . 0.0 109.944 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.02 -40.08 88.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.017 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.56 -21.43 65.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.663 -0.648 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.949 . . . . 0.0 110.34 -179.021 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.61 -41.46 94.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.344 -0.847 . . . . 0.0 109.329 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.22 -47.8 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.204 -0.935 . . . . 0.0 110.467 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.008 . . . . 0.0 109.031 -178.694 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.96 -41.02 95.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.35 -0.844 . . . . 0.0 109.471 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.35 -47.9 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.296 -0.878 . . . . 0.0 110.184 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.06 -39.52 86.31 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.123 -0.985 . . . . 0.0 109.417 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.299 -1.589 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.233 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.454 0.645 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.98 -35.66 74.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.0 108.894 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' SD ' ' A' ' 7' ' ' MET . 6.7 tt -68.9 -26.42 65.09 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.325 -0.86 . . . . 0.0 110.453 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 87.2 mt-10 -60.06 -49.08 79.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.041 -1.037 . . . . 0.0 110.434 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.98 -37.59 75.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.915 -1.116 . . . . 0.0 109.601 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.35 92.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.299 -0.876 . . . . 0.0 109.913 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 3' ' ' LEU . 65.6 mtp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.835 -1.166 . . . . 0.0 109.261 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.0 -40.31 82.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.74 -45.16 87.66 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.991 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 10' ' ' LEU . 88.1 mt -62.94 -40.0 96.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.08 -1.012 . . . . 0.0 109.925 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.26 -42.18 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.647 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.51 -39.37 77.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.0 110.167 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.3 t -58.44 -35.76 55.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.082 -1.011 . . . . 0.0 108.352 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE2' ' NE2' ' B' ' 85' ' ' HIS . 85.2 t80 -59.83 -49.97 75.61 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.684 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -64.92 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.635 -0.666 . . . . 0.0 111.21 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' NE2' ' CE2' ' A' ' 17' ' ' TYR . 31.5 tt0 -59.95 -46.72 88.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 111.547 -177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 98.9 m-85 -95.13 -26.07 16.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.77 -1.206 . . . . 0.0 111.215 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -65.19 -38.36 90.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.735 -1.228 . . . . 0.0 110.051 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.51 6.72 10.51 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 17' ' ' TYR . 18.6 mmt180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.054 -1.263 . . . . 0.0 109.894 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -136.02 160.92 37.14 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.419 -0.801 . . . . 0.0 109.777 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -48.49 -26.06 4.91 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.4 m-20 -70.37 46.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.0 ttpt -60.23 -29.66 68.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -0.913 . . . . 0.0 110.345 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.02 -35.77 74.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.062 -1.024 . . . . 0.0 110.57 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 67.4 mmtt -125.77 147.73 49.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 0.0 109.628 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -97.59 128.75 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -100.56 154.58 18.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.359 -0.838 . . . . 0.0 108.979 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -45.07 -35.02 2.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.165 -0.96 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -64.64 -43.86 92.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.9 -1.125 . . . . 0.0 109.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -68.8 -39.98 79.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 108.926 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.5 -39.85 92.44 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.635 0.731 . . . . 0.0 109.037 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.0 -42.62 94.65 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.13 -39.21 86.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.915 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.94 -50.35 74.1 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.792 -0.567 . . . . 0.0 110.81 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -77.71 -42.06 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.094 -1.004 . . . . 0.0 111.544 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 40.2 p30 -70.05 -22.59 63.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.288 -1.507 . . . . 0.0 110.746 -178.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 19.7 t-20 -87.43 -34.45 18.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.968 -1.082 . . . . 0.0 112.308 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.07 -29.67 8.84 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.597 -1.315 . . . . 0.0 111.628 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -97.81 13.71 29.56 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.862 -1.149 . . . . 0.0 108.624 -179.146 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' LEU . 36.7 p -44.59 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.275 -0.891 . . . . 0.0 111.162 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.41 -22.03 26.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -0.93 . . . . 0.0 110.372 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' ' OE2' ' B' ' 4' ' ' GLU . 79.5 m-85 -61.33 -39.01 88.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.948 . . . . 0.0 109.445 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.6 -142.81 0.14 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' LEU . 49.3 tp10 -60.0 133.35 56.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.756 -1.215 . . . . 0.0 109.644 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -98.55 119.3 37.03 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.76 118.84 46.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -128.51 -11.02 5.08 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -122.43 162.0 22.46 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.662 0.744 . . . . 0.0 110.246 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.09 -16.59 57.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.98 -45.39 89.23 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -62.07 -43.2 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' MET . 42.0 t -59.99 -46.68 93.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.41 -47.65 84.8 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -68.45 -35.89 78.23 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.9 -32.7 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.473 -0.767 . . . . 0.0 109.337 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.7 mmm -70.56 -41.82 71.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 108.92 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.06 -30.54 70.39 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.0 m -70.03 -39.73 75.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.908 -0.495 . . . . 0.0 110.749 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.44 -53.21 2.84 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.028 -1.045 . . . . 0.0 108.222 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.5 t0 -77.12 58.16 1.51 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.68 5.07 0.9 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.9 m-20 -77.56 -29.51 52.18 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 178.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.6 86.05 Favored Glycine 0 N--CA 1.485 1.913 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p-10 -88.45 1.89 53.88 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.88 36.23 92.49 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.19 149.57 36.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -1.03 . . . . 0.0 109.866 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -133.24 139.48 46.97 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 13.3 p30 -103.8 172.76 6.63 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.093 -1.005 . . . . 0.0 109.952 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.9 p90 -49.12 -45.62 43.83 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 109.482 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.6 tm0? -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.069 -1.02 . . . . 0.0 109.479 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 39.8 mt-10 -69.31 -40.09 77.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.092 -1.005 . . . . 0.0 109.828 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.47 -40.01 92.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.064 -1.022 . . . . 0.0 108.863 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.8 -30.38 69.79 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.852 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.7 68.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.128 -0.983 . . . . 0.0 109.741 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.02 -39.99 87.73 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.086 -1.009 . . . . 0.0 108.65 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -63.01 -46.49 96.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.298 -0.876 . . . . 0.0 108.853 179.23 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.06 -41.99 93.53 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.547 0.689 . . . . 0.0 109.15 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.39 -45.92 88.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.701 . . . . 0.0 110.316 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 t -79.47 -28.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.191 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.8 m -60.77 -39.96 90.71 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.976 -1.077 . . . . 0.0 108.533 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -65.34 -42.38 92.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.558 -0.714 . . . . 0.0 109.221 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.23 79.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.023 . . . . 0.0 108.985 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -63.73 -41.08 98.11 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.53 ' NE2' ' CE2' ' B' ' 14' ' ' PHE . 43.8 t-80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.625 -0.672 . . . . 0.0 109.721 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.186 -0.946 . . . . 0.0 108.92 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.301 -1.521 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.028 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.321 0.581 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.95 -35.98 74.91 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.354 -0.841 . . . . 0.0 108.916 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.415 HD21 ' SD ' ' B' ' 7' ' ' MET . 6.8 tt -68.68 -26.51 65.34 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.42 -0.8 . . . . 0.0 110.481 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE2' ' CD2' ' A' ' 43' ' ' PHE . 86.9 mt-10 -60.03 -49.09 79.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.021 -1.049 . . . . 0.0 110.438 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -70.01 -37.5 75.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.907 -1.121 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.44 92.05 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.918 . . . . 0.0 109.916 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.415 ' SD ' HD21 ' B' ' 3' ' ' LEU . 66.4 mtp -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.9 -1.125 . . . . 0.0 109.22 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -59.92 -40.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -65.0 -45.5 85.32 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 10' ' ' LEU . 86.9 mt -62.62 -40.05 95.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.094 -1.003 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.19 -42.27 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.107 -0.996 . . . . 0.0 109.723 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -69.37 -39.44 78.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.195 -0.94 . . . . 0.0 110.119 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.7 t -58.25 -35.96 55.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 85' ' ' HIS . 86.2 t80 -59.59 -50.03 75.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.466 -0.893 . . . . 0.0 108.653 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.663 -0.648 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.517 ' NE2' ' CE2' ' B' ' 17' ' ' TYR . 31.5 tt0 -60.02 -46.49 89.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.973 -1.079 . . . . 0.0 111.485 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.517 ' CE2' ' NE2' ' B' ' 16' ' ' GLN . 98.9 m-85 -95.25 -26.19 16.05 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.81 -1.181 . . . . 0.0 111.1 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -65.05 -38.6 91.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.803 -1.186 . . . . 0.0 110.112 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.36 6.74 10.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 17' ' ' TYR . 18.7 mmt180 -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.072 -1.252 . . . . 0.0 109.897 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -135.93 161.0 36.85 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.379 -0.826 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -48.43 -26.22 4.93 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 97.4 m-20 -70.34 46.56 0.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -1.184 . . . . 0.0 109.514 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.4 ttpt -60.16 -29.55 68.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 110.292 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.0 -36.11 74.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.072 -1.018 . . . . 0.0 110.625 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 67.8 mmtt -125.51 147.78 49.12 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.265 -0.897 . . . . 0.0 109.659 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -97.54 128.76 44.54 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 29' ' ' LYS . 37.0 ttpt -100.45 154.49 18.49 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.264 -0.898 . . . . 0.0 108.95 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.7 ptpt -44.98 -35.16 2.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.256 -0.903 . . . . 0.0 109.917 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -64.6 -43.91 92.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.857 -1.152 . . . . 0.0 109.14 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -68.71 -39.95 80.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 108.896 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.53 -39.83 92.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.652 0.739 . . . . 0.0 109.018 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.96 -42.41 94.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.026 -1.046 . . . . 0.0 109.439 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -67.45 -38.95 85.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.0 108.967 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.799 -0.563 . . . . 0.0 110.733 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -77.58 -42.21 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.194 -0.941 . . . . 0.0 111.537 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 39.6 p30 -70.02 -22.53 63.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.307 -1.496 . . . . 0.0 110.716 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 19.9 t-20 -87.38 -34.55 18.74 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.903 -1.123 . . . . 0.0 112.27 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -107.83 -29.99 8.77 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.66 -1.275 . . . . 0.0 111.633 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -97.79 13.59 29.93 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.864 -1.148 . . . . 0.0 108.691 -179.094 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 44.3 p -44.43 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 111.15 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.38 -22.22 26.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.213 -0.93 . . . . 0.0 110.376 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 79.4 m-85 -60.92 -39.19 88.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 0.0 109.552 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.56 -142.62 0.14 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' B' ' 40' ' ' LEU . 49.5 tp10 -60.12 133.71 56.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.741 -1.225 . . . . 0.0 109.528 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -99.01 119.48 37.85 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.84 118.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -128.25 -11.11 5.23 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -122.45 162.03 22.44 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.668 0.747 . . . . 0.0 110.324 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -77.95 -16.78 57.89 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.93 -45.64 88.33 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.563 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.77 -43.26 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 57' ' ' MET . 42.8 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 44.5 t0 -61.25 -47.68 84.93 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.362 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -68.34 -35.99 78.59 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.66 -32.92 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.437 -0.79 . . . . 0.0 109.375 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.6 mmm -70.47 -41.73 72.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.009 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.0 -30.6 70.38 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -70.0 -39.65 75.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.896 -0.503 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.43 -53.31 2.82 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.022 -1.049 . . . . 0.0 108.225 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.2 t0 -76.9 58.15 1.43 Allowed 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.74 4.91 0.96 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.9 m-20 -77.48 -29.55 52.7 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.44 86.25 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 53.8 p-10 -88.44 2.14 53.34 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.67 36.0 92.02 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -143.96 149.68 37.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -1.032 . . . . 0.0 109.921 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -133.3 139.28 46.8 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 13.9 p30 -103.67 172.82 6.59 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.155 -0.966 . . . . 0.0 109.98 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.8 p90 -49.19 -45.62 44.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.445 -0.784 . . . . 0.0 109.484 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 1.6 tm0? -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 109.417 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 39.9 mt-10 -69.24 -39.98 78.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.039 -1.038 . . . . 0.0 109.982 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.54 -40.0 93.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.045 -1.034 . . . . 0.0 108.863 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.55 -30.8 70.54 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.239 -0.985 . . . . 0.0 108.993 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.14 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.111 -0.993 . . . . 0.0 109.836 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -59.96 -40.21 88.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.11 -0.994 . . . . 0.0 108.527 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -62.85 -46.37 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 108.914 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -59.99 -42.2 93.7 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.583 0.706 . . . . 0.0 109.187 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 46.1 ttp -63.26 -46.44 86.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.549 -0.719 . . . . 0.0 110.337 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.1 -28.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.235 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -60.95 -40.04 91.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.533 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -65.34 -42.4 92.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.569 -0.707 . . . . 0.0 109.206 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.22 79.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.071 -1.018 . . . . 0.0 109.053 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.69 -41.1 98.19 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t-80 -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.588 -0.695 . . . . 0.0 109.631 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -39.92 87.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.116 -0.99 . . . . 0.0 108.941 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 C--N 1.3 -1.545 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.101 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.663 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.57 -42.5 74.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.957 -1.089 . . . . 0.0 110.699 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pt -79.56 -41.08 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 120.777 -1.202 . . . . 0.0 109.727 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.299 -1.626 0 O-C-N 121.096 -1.003 . . . . 0.0 109.21 -179.651 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.65 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.28 -42.58 75.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.937 -1.102 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pt -79.23 -42.46 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.803 -1.185 . . . . 0.0 109.624 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.0 -39.99 87.67 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.058 -1.026 . . . . 0.0 109.513 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.571 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.66 -39.0 90.9 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.874 . . . . 0.0 108.974 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.92 -24.82 64.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 110.835 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -50.1 75.08 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.695 -1.253 . . . . 0.0 110.461 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -38.46 76.11 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.875 -1.141 . . . . 0.0 109.407 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.96 87.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.881 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.96 -40.13 87.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.888 -1.133 . . . . 0.0 108.767 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.33 -40.24 83.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.83 87.33 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.18 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.3 -40.08 92.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.041 -1.037 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -68.55 -42.87 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.148 -0.97 . . . . 0.0 110.016 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.45 -39.99 73.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.873 -1.142 . . . . 0.0 109.4 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -58.59 -34.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.97 -48.93 79.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.839 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -78.75 -23.53 45.33 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.135 -0.978 . . . . 0.0 111.211 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.01 -45.46 92.67 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.006 -1.059 . . . . 0.0 111.523 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 35' ' ' LEU . 42.7 p90 -105.07 -30.36 9.81 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 120.884 -1.135 . . . . 0.0 111.313 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.917 -1.115 . . . . 0.0 110.554 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.44 58.75 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 20' ' ' ARG . 4.9 ptm180 -65.92 -40.04 91.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.611 -1.523 . . . . 0.0 109.462 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.65 165.65 20.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.181 -0.949 . . . . 0.0 109.604 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.34 -157.45 53.47 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 26' ' ' LYS . 56.3 t0 -81.29 121.23 25.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.331 -1.099 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -62.78 -29.35 70.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.369 -0.832 . . . . 0.0 109.498 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -72.62 -19.98 61.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.901 . . . . 0.0 110.663 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . 62.9 mttp -129.32 155.51 45.5 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.2 -0.938 . . . . 0.0 109.621 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.02 131.3 56.48 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 0.0 109.826 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLU . 64.8 tttm -98.17 150.94 20.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 108.654 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 12.5 ptpt -40.84 -38.41 0.93 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.398 -0.814 . . . . 0.0 109.927 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -64.94 -42.08 94.95 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' LYS . 89.3 mt-10 -69.94 -40.0 75.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.087 -1.008 . . . . 0.0 109.1 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.07 -39.0 93.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.85 . . . . 0.0 109.47 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.34 -39.98 80.9 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 54.0 tp10 -63.11 -41.39 99.34 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.03 -48.48 81.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.811 . . . . 0.0 109.328 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.36 -42.3 81.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.352 -0.842 . . . . 0.0 110.773 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -84.4 -23.33 30.1 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.943 -1.098 . . . . 0.0 111.84 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 47.9 t-20 -88.17 -33.98 17.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.393 -1.442 . . . . 0.0 111.265 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 40' ' ' LEU . 63.6 mm-40 -92.83 -14.9 27.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.271 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -162.4 75.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.772 -1.205 . . . . 0.0 110.417 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.15 -70.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.738 -1.226 . . . . 0.0 109.686 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -87.87 -33.21 18.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.175 -0.953 . . . . 0.0 111.18 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.09 -40.0 88.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.931 -1.106 . . . . 0.0 109.241 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 40' ' ' LEU . 17.9 tp -159.97 141.76 12.91 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 51.19 92.44 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.554 -0.859 . . . . 0.0 111.269 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -94.52 136.09 35.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -115.05 114.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.57 -14.13 7.83 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -124.43 156.51 37.05 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.581 0.705 . . . . 0.0 110.324 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.502 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -79.99 -13.91 58.98 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.755 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.08 -40.53 94.79 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.3 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -45.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 57' ' ' MET . 9.3 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.054 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 52.2 m-20 -61.9 -43.85 97.99 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.227 -1.389 . . . . 0.0 110.075 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.83 -1.148 . . . . 0.0 109.121 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.6 -38.43 67.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 122.038 0.923 . . . . 0.0 108.564 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' ASP . 13.3 tpt -70.56 -40.79 73.15 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.29 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -64.18 -39.79 94.75 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.457 0.646 . . . . 0.0 109.657 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 72' ' ' GLU . 10.0 mp -97.88 -47.73 5.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 0.0 109.256 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.2 t0 -74.72 51.2 0.47 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -66.53 -0.06 2.55 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.1 m-20 -77.34 -34.15 55.3 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.62 83.42 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.942 -2.463 . . . . 0.0 106.942 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.1 p-10 -85.09 1.69 46.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.03 30.61 74.14 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -145.89 159.69 42.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -1.102 . . . . 0.0 110.453 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.98 122.25 25.24 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.21 168.15 19.44 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.493 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -56.08 -40.03 73.0 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 108.73 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.13 -40.43 95.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.066 -1.021 . . . . 0.0 109.396 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 80.4 mt-10 -69.99 -40.91 75.04 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.01 -1.056 . . . . 0.0 109.319 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE2' ' OH ' ' A' ' 17' ' ' TYR . 2.6 t80 -63.93 -37.33 87.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.98 -33.38 71.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -27.84 66.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.241 -0.912 . . . . 0.0 110.03 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' A' ' 80' ' ' VAL . 58.0 t80 -59.98 -42.66 94.64 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.756 -1.215 . . . . 0.0 108.522 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -45.1 97.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -61.58 -40.45 94.8 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.041 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.7 ttp -66.37 -45.32 80.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.124 -0.985 . . . . 0.0 109.424 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 61.3 t -70.47 -36.67 67.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.662 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -62.38 -40.0 95.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.229 -0.919 . . . . 0.0 109.257 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -40.02 71.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.76 74.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.0 110.392 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 88.6 m -61.9 -48.55 79.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 108.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.75 -39.91 90.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.678 0.751 . . . . 0.0 109.153 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.79 -39.69 85.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.64 -0.662 . . . . 0.0 109.867 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.299 -1.613 0 O-C-N 121.058 -1.026 . . . . 0.0 109.832 -179.573 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.74 -39.18 90.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 108.967 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.03 -24.72 64.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.01 -50.07 75.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.607 -1.308 . . . . 0.0 110.56 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.05 75.68 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.828 -1.17 . . . . 0.0 109.391 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 110.009 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.0 tpp -59.98 -40.28 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.952 -1.092 . . . . 0.0 108.744 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.29 -40.04 82.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.53 86.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.56 -40.08 93.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.68 -42.63 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.116 -0.99 . . . . 0.0 110.006 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.55 -39.87 73.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.905 -1.122 . . . . 0.0 109.38 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.77 -34.59 52.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.61 -49.08 79.13 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.297 -0.877 . . . . 0.0 109.826 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.74 -23.47 45.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.085 -1.009 . . . . 0.0 111.318 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -45.48 92.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.0 -1.062 . . . . 0.0 111.546 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.461 ' CD2' HD23 ' B' ' 35' ' ' LEU . 43.0 p90 -104.93 -30.25 9.95 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 120.87 -1.143 . . . . 0.0 111.345 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.901 -1.124 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.38 11.98 59.76 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.416 ' HG3' HH11 ' B' ' 20' ' ' ARG . 4.8 ptm180 -65.51 -40.17 92.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.708 -1.466 . . . . 0.0 109.537 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.77 165.63 20.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.181 -0.949 . . . . 0.0 109.462 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.55 -157.21 53.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 26' ' ' LYS . 56.4 t0 -81.6 121.04 25.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.388 -1.066 . . . . 0.0 109.572 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.81 -29.21 70.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.819 . . . . 0.0 109.467 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -72.63 -20.01 61.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.336 -0.852 . . . . 0.0 110.631 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 23' ' ' ASP . 63.3 mttp -129.4 156.02 44.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.22 -0.925 . . . . 0.0 109.736 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -118.43 131.17 56.28 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.609 -0.682 . . . . 0.0 109.874 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' B' ' 29' ' ' LYS . 63.8 tttm -97.85 151.07 20.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 108.674 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ptpt -40.96 -38.53 0.99 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.396 -0.815 . . . . 0.0 109.878 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.8 p -64.77 -42.14 95.34 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.198 -0.939 . . . . 0.0 109.839 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 28' ' ' LYS . 89.3 mt-10 -69.92 -39.94 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.038 -1.039 . . . . 0.0 109.083 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.48 -38.24 90.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.32 -0.862 . . . . 0.0 109.481 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.74 -40.01 82.59 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 38' ' ' ASN . 54.0 tp10 -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -59.94 -48.86 79.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.447 -0.783 . . . . 0.0 109.174 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.0 110.856 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -84.32 -23.21 30.35 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.964 -1.085 . . . . 0.0 111.943 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLU . 48.0 t-20 -88.1 -34.01 18.06 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.376 -1.453 . . . . 0.0 111.176 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.437 ' C ' HD23 ' B' ' 40' ' ' LEU . 63.4 mm-40 -92.86 -14.96 27.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.706 -1.246 . . . . 0.0 110.295 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.753 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -162.12 75.24 0.45 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.728 -1.233 . . . . 0.0 110.474 179.66 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.9 -70.31 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.779 -1.201 . . . . 0.0 109.739 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -88.02 -33.09 18.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.956 . . . . 0.0 111.21 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -60.01 -40.01 87.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.972 -1.08 . . . . 0.0 109.199 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.3 tp -160.12 141.9 12.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.08 92.26 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.315 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.33 136.51 34.54 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mm -115.39 114.89 47.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.64 -14.2 7.8 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -124.57 156.49 37.3 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.564 0.697 . . . . 0.0 110.289 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -79.98 -13.99 58.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.732 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.06 -40.78 95.22 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 118.825 -1.15 . . . . 0.0 110.198 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.58 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.6 t -59.99 -49.3 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.083 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 52.9 m-20 -61.97 -43.83 98.03 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.099 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -69.93 -40.01 75.79 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.78 -1.168 . . . . 0.0 109.136 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.38 -38.51 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.9 tpt -70.6 -40.75 73.01 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.17 -32.17 73.64 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.742 -1.206 . . . . 0.0 107.742 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.3 m -63.93 -39.9 95.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.671 -0.643 . . . . 0.0 109.519 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 72' ' ' GLU . 9.8 mp -97.78 -47.64 5.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.424 -0.798 . . . . 0.0 109.265 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -74.83 51.37 0.49 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.51 -0.56 2.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -77.03 -33.99 57.33 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 10.83 83.48 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.089 -2.404 . . . . 0.0 107.089 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.9 p-10 -85.11 1.67 46.82 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.92 30.9 74.55 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.1 mt-10 -146.12 159.48 43.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.46 -1.024 . . . . 0.0 110.504 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.83 122.07 25.14 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -80.47 167.7 19.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.233 -0.917 . . . . 0.0 109.333 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 3.5 p90 -55.37 -40.34 71.19 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.001 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.28 -40.14 95.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.891 -1.131 . . . . 0.0 109.428 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.486 ' O ' HD23 ' B' ' 60' ' ' LEU . 79.8 mt-10 -69.92 -41.01 75.19 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CE2' ' OH ' ' B' ' 17' ' ' TYR . 2.6 t80 -64.09 -37.31 86.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.81 -33.73 72.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -27.93 66.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.139 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' B' ' 80' ' ' VAL . 58.6 t80 -60.09 -42.69 95.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.188 . . . . 0.0 108.476 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.53 -44.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.8 m -62.03 -40.4 95.6 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.986 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.2 ttp -66.19 -45.4 80.96 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' B' ' 76' ' ' PHE . 59.4 t -70.46 -36.59 67.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.689 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -62.53 -40.03 95.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.101 -0.999 . . . . 0.0 109.212 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.7 p -71.05 -39.99 71.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.52 -0.737 . . . . 0.0 110.33 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.91 -43.77 74.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.354 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.84 -48.83 78.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.48 -40.0 89.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.656 0.741 . . . . 0.0 109.206 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.88 -39.62 85.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.621 -0.675 . . . . 0.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--N 1.3 -1.574 0 O-C-N 121.004 -1.06 . . . . 0.0 109.81 -179.669 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' X' ' 9' ' ' LYS . 15.5 p30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.021 0.439 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' X' ' 8' ' ' ASN . 63.8 tttp -60.03 -45.79 91.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.057 -1.027 . . . . 0.0 110.223 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.96 -40.01 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.217 -0.927 . . . . 0.0 111.131 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 120.98 -1.075 . . . . 0.0 109.204 -178.418 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' Y' ' 9' ' ' LYS . 15.9 p30 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 120.961 0.41 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' Y' ' 8' ' ' ASN . 63.5 tttp -60.11 -45.69 92.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.068 -1.02 . . . . 0.0 110.192 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -70.04 -40.1 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 111.027 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.86 -39.96 86.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.821 -1.175 . . . . 0.0 109.433 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.437 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -67.75 -39.96 84.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.428 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.01 -30.45 69.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.824 -1.173 . . . . 0.0 109.871 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 97.3 mt-10 -59.91 -48.94 79.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.009 -1.057 . . . . 0.0 110.468 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.92 68.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.794 -1.191 . . . . 0.0 108.975 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.02 90.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -0.865 . . . . 0.0 109.357 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.06 -40.84 90.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.132 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.98 -40.07 81.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-O 121.795 0.807 . . . . 0.0 108.902 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.55 88.76 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.658 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.49 -40.0 92.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.863 -1.148 . . . . 0.0 109.895 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.14 -41.66 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.022 -1.048 . . . . 0.0 110.365 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -64.94 -42.96 94.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.589 -1.319 . . . . 0.0 109.619 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.19 -29.65 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.41 -0.806 . . . . 0.0 108.975 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.15 -48.32 82.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.403 -0.81 . . . . 0.0 109.79 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 27.0 m-70 -77.44 -25.16 50.38 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -0.928 . . . . 0.0 111.441 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.99 -40.33 88.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.716 -1.24 . . . . 0.0 111.812 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -107.74 -31.02 8.23 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.909 -1.119 . . . . 0.0 111.132 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -64.08 -40.0 95.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.907 -1.121 . . . . 0.0 109.987 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 1.63 88.36 Favored Glycine 0 N--CA 1.492 2.417 0 C-N-CA 120.262 -0.971 . . . . 0.0 110.74 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -66.37 -39.87 89.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.745 -1.444 . . . . 0.0 109.178 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' GLY . 99.7 mt-10 -128.38 174.14 9.58 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -57.19 -157.42 0.01 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 93.9 m-20 51.05 46.96 25.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.763 -1.434 . . . . 0.0 108.628 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -61.07 -32.94 72.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.4 -34.96 73.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 110.821 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 96.1 mttt -128.21 153.8 46.53 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.121 -0.987 . . . . 0.0 110.479 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.21 117.79 32.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.126 -0.984 . . . . 0.0 109.131 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.9 ttmm -82.38 155.28 24.8 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 8.3 mtmp? -42.77 -39.48 2.48 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.215 -0.928 . . . . 0.0 110.012 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -60.09 -43.45 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.915 . . . . 0.0 110.576 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.05 -40.05 75.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.733 -1.229 . . . . 0.0 108.725 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -39.68 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.53 -42.3 91.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.265 -0.897 . . . . 0.0 109.026 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -67.99 -39.8 83.2 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -50.96 71.94 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.631 -0.668 . . . . 0.0 109.911 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.02 -42.32 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.001 -1.062 . . . . 0.0 110.018 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -70.68 -26.11 63.29 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.379 -1.451 . . . . 0.0 110.958 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -87.85 -34.09 18.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.805 -1.185 . . . . 0.0 112.003 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' B' ' 4' ' ' GLU . 97.2 mt-10 -106.94 -32.85 7.71 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.859 -1.15 . . . . 0.0 111.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -99.99 19.38 16.35 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 96.7 p -44.08 -97.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 111.355 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' N ' ' OG ' ' A' ' 41' ' ' SER . 79.0 t60 -84.95 -21.87 29.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.918 . . . . 0.0 110.06 -178.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.89 -37.56 79.74 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.15 -0.968 . . . . 0.0 108.608 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mt -142.05 -158.42 0.86 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.206 -0.934 . . . . 0.0 109.28 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.66 135.17 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.134 -0.979 . . . . 0.0 110.613 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 53.1 tp10 -98.81 122.74 42.44 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 52' ' ' VAL . 49.7 mm -91.05 110.01 21.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-O 121.822 0.82 . . . . 0.0 110.532 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -119.81 -12.05 9.27 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.61 145.16 48.61 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.592 0.71 . . . . 0.0 110.675 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -69.96 -22.11 63.19 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.3 pt-20 -59.97 -43.01 95.37 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.954 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 47' ' ' ILE . 43.8 t -60.01 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.69 -41.17 89.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.501 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.99 -41.31 74.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.654 -1.219 . . . . 0.0 109.075 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -69.96 -38.33 76.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.57 -31.5 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -70.07 -42.43 72.82 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.504 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 86.1 tt0 -60.03 -34.08 72.89 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' SD ' ' A' ' 79' ' ' MET . 94.3 m -70.15 -39.88 75.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.788 -0.57 . . . . 0.0 111.019 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.94 -52.85 2.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.6 t0 -80.72 59.7 3.74 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 45.1 mm-40 -66.05 4.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.636 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.4 m-20 -79.37 -29.84 42.29 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 105.893 -1.891 . . . . 0.0 105.893 177.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.4 11.92 81.3 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -88.11 0.01 56.53 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.93 30.13 72.38 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 108.149 -1.98 . . . . 0.0 108.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.8 mt-10 -143.43 157.11 44.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.548 -0.972 . . . . 0.0 110.291 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -130.06 122.1 27.71 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.89 167.74 20.14 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.362 -0.837 . . . . 0.0 109.255 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 28.5 p90 -55.79 -40.07 72.17 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 108.826 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.292 -0.88 . . . . 0.0 109.183 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -69.72 -38.36 76.85 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 110.414 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.24 -41.02 87.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.869 -1.144 . . . . 0.0 109.377 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.0 tpp -64.17 -31.62 72.88 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.968 -1.082 . . . . 0.0 108.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.44 -30.53 70.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.123 -0.986 . . . . 0.0 109.985 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.0 t80 -59.82 -40.08 87.21 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 108.856 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.63 -40.91 88.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.237 -0.915 . . . . 0.0 108.54 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -60.49 -46.46 90.03 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.477 0.656 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.401 ' SD ' HG21 ' A' ' 59' ' ' THR . 61.9 ttp -65.46 -42.24 92.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.827 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.5 t -80.0 -29.05 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.757 -1.214 . . . . 0.0 108.901 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.3 m -60.64 -40.04 90.52 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.095 -1.003 . . . . 0.0 108.921 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 p -71.16 -42.38 69.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.542 -0.723 . . . . 0.0 110.947 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.99 75.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.918 -1.114 . . . . 0.0 110.284 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.06 -42.8 99.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' NE2' ' B' ' 15' ' ' HIS . 8.5 t60 -69.94 -39.86 75.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.79 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -74.19 -5.49 42.18 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.432 -0.793 . . . . 0.0 110.527 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.651 -1.28 . . . . 0.0 110.892 -178.306 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -67.76 -40.1 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.91 -30.55 69.11 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.826 -1.172 . . . . 0.0 109.918 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 97.1 mt-10 -59.95 -48.81 80.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.981 -1.075 . . . . 0.0 110.496 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -31.08 68.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.743 -1.223 . . . . 0.0 108.908 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.96 90.81 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.368 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.3 tpp -59.97 -40.89 90.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.23 -39.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.775 0.798 . . . . 0.0 108.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -67.05 -40.08 87.06 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.691 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.75 -40.07 91.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.899 -1.126 . . . . 0.0 109.882 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.11 -41.5 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -65.07 -42.45 94.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.585 -1.322 . . . . 0.0 109.801 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 9' ' ' ALA . 76.5 t -59.63 -29.84 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 108.928 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -58.75 -48.52 80.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.422 -0.799 . . . . 0.0 109.834 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.408 ' NE2' ' CE1' ' A' ' 85' ' ' HIS . 24.6 m-70 -77.39 -25.22 50.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.207 -0.933 . . . . 0.0 111.441 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.01 -40.49 89.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.662 -1.274 . . . . 0.0 111.785 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -107.64 -30.72 8.43 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.856 -1.152 . . . . 0.0 111.041 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -64.16 -40.07 95.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.817 -1.177 . . . . 0.0 110.053 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.25 1.52 88.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -66.32 -39.94 89.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.759 -1.436 . . . . 0.0 109.197 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 22' ' ' GLY . 99.6 mt-10 -128.36 173.95 9.74 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.505 -0.747 . . . . 0.0 108.989 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -57.06 -157.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' B' ' 26' ' ' LYS . 93.8 m-20 51.12 46.81 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.76 -1.435 . . . . 0.0 108.576 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.04 -32.94 72.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.868 . . . . 0.0 110.338 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.32 -35.0 73.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 110.752 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' B' ' 23' ' ' ASP . 93.8 mttt -128.43 153.88 46.64 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.151 -0.968 . . . . 0.0 110.487 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.16 117.98 32.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.165 -0.959 . . . . 0.0 109.108 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' B' ' 29' ' ' LYS . 18.9 ttmm -82.5 155.49 24.54 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.462 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 8.2 mtmp? -42.86 -39.64 2.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.25 -0.906 . . . . 0.0 109.962 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.07 -43.29 95.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.06 -40.08 75.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.75 -1.219 . . . . 0.0 108.673 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -39.88 91.45 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.39 -42.42 91.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.915 . . . . 0.0 108.894 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.82 -39.98 83.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.09 -51.13 71.38 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.607 -0.683 . . . . 0.0 109.952 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.02 -42.42 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.94 -1.1 . . . . 0.0 109.97 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.62 -26.02 63.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.374 -1.454 . . . . 0.0 110.885 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -87.84 -34.37 18.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.873 -1.142 . . . . 0.0 111.966 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 4' ' ' GLU . 97.1 mt-10 -107.07 -32.54 7.8 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.758 -1.214 . . . . 0.0 111.179 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -100.06 19.2 16.75 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.955 -1.091 . . . . 0.0 108.098 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.1 p -44.06 -97.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.466 -0.771 . . . . 0.0 111.46 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.515 ' N ' ' OG ' ' B' ' 41' ' ' SER . 78.4 t60 -85.18 -21.75 29.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.216 -0.928 . . . . 0.0 110.037 -178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 108.508 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -141.85 -158.74 0.89 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.186 -0.946 . . . . 0.0 109.246 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.49 135.07 2.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.97 . . . . 0.0 110.657 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.491 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . 53.4 tp10 -98.77 122.87 42.56 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 177.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.532 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -91.06 109.87 21.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-O 121.898 0.856 . . . . 0.0 110.503 -177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -119.68 -12.22 9.29 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -122.54 145.37 48.39 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.668 0.747 . . . . 0.0 110.657 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.02 -22.07 63.14 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.5 pt-20 -60.17 -42.79 95.72 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.847 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' B' ' 47' ' ' ILE . 49.4 t -60.11 -47.6 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.15 -40.81 88.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.454 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.01 -41.28 74.55 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.564 -1.254 . . . . 0.0 109.068 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.11 -38.26 75.57 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -70.79 -31.38 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.0 OUTLIER -70.03 -42.33 73.1 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.333 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.2 tt0 -60.11 -34.04 72.94 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.15 -39.78 75.15 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.234 0.54 . . . . 0.0 111.076 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.05 -52.97 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 109.177 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 24.5 t0 -80.72 59.96 3.84 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 44.6 mm-40 -66.29 4.34 0.74 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.509 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.5 m-20 -79.25 -30.1 42.98 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.68 11.79 81.13 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -88.06 0.01 56.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.8 30.42 72.58 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 108.222 -1.951 . . . . 0.0 108.222 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.8 mt-10 -143.58 156.98 44.75 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.488 -1.007 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.99 121.78 27.19 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.7 168.04 19.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.402 -0.811 . . . . 0.0 109.19 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 28.5 p90 -56.26 -40.0 73.51 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.245 -0.909 . . . . 0.0 108.804 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.598 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.8 tt0 -62.85 -40.11 96.45 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.315 -0.865 . . . . 0.0 108.925 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -69.95 -38.21 76.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.26 -0.9 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.42 87.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.844 -1.16 . . . . 0.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 55.7 tpp -64.35 -31.96 73.38 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.935 -1.103 . . . . 0.0 108.773 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.42 -30.22 69.92 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.094 -1.004 . . . . 0.0 109.904 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 80' ' ' VAL . 65.4 t80 -59.96 -39.99 87.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 108.797 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.463 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -61.69 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.209 -0.932 . . . . 0.0 108.599 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -60.66 -46.34 90.69 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.443 0.64 . . . . 0.0 110.034 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.76 -42.0 91.43 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.742 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 76' ' ' PHE . 20.8 t -79.97 -29.39 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.967 -1.083 . . . . 0.0 108.744 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.1 m -60.56 -40.0 90.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.069 -1.019 . . . . 0.0 108.978 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -42.34 68.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.511 -0.743 . . . . 0.0 110.973 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.77 76.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 110.334 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -42.81 99.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 15' ' ' HIS . 8.2 t60 -69.84 -39.98 76.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.544 -0.723 . . . . 0.0 109.8 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -74.06 -5.76 43.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.483 -0.761 . . . . 0.0 110.502 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.495 1.813 0 O-C-N 120.645 -1.284 . . . . 0.0 110.964 -178.284 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.34 -39.85 88.59 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 109.34 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.1 -40.35 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.302 -1.48 0 O-C-N 121.229 -0.919 . . . . 0.0 108.949 -179.11 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -39.94 89.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.293 -0.88 . . . . 0.0 109.223 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.97 -40.72 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.258 -0.901 . . . . 0.0 109.776 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.88 -39.71 86.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.277 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.346 179.779 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.362 0.601 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.99 -31.38 70.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.316 -0.865 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.62 -24.74 35.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.078 -1.014 . . . . 0.0 110.987 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 98.8 mt-10 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.767 -1.208 . . . . 0.0 110.912 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 10.6 pttp -68.48 -41.61 79.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.632 -1.292 . . . . 0.0 109.055 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 5' ' ' LYS . . . -70.31 -42.02 72.53 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.918 -0.488 . . . . 0.0 111.238 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.97 -41.64 92.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.738 -1.226 . . . . 0.0 108.332 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' GLU . 70.2 t -63.54 -40.04 87.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.02 91.53 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.2 -39.95 88.34 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.037 -1.039 . . . . 0.0 108.678 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.17 -40.01 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.36 -0.838 . . . . 0.0 109.11 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -70.08 -40.35 75.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.866 -1.146 . . . . 0.0 109.166 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG13 ' OE2' ' A' ' 39' ' ' GLU . 42.3 t -60.02 -39.71 81.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -49.05 -57.83 5.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.505 -0.747 . . . . 0.0 110.073 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.49 -22.75 58.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.209 -0.932 . . . . 0.0 111.33 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -55.64 -40.2 71.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.211 -0.93 . . . . 0.0 111.095 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -119.8 -24.16 6.24 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 121.129 -0.982 . . . . 0.0 110.722 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 m -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.826 -1.171 . . . . 0.0 110.308 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.99 1.91 37.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 20' ' ' ARG . 38.0 ttt-85 -60.05 -46.81 88.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -1.172 . . . . 0.0 109.622 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -167.13 172.08 10.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.383 -0.823 . . . . 0.0 108.892 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.11 -160.71 27.37 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.912 -1.117 . . . . 0.0 110.676 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 94.7 m-20 -90.27 0.88 57.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.6 -0.941 . . . . 0.0 110.467 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 4.4 tmtt? 80.3 -47.02 0.3 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.656 0.741 . . . . 0.0 109.345 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -72.51 -17.1 61.77 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.478 -0.764 . . . . 0.0 110.242 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -128.57 152.33 48.43 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.375 -0.828 . . . . 0.0 109.728 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.43 120.03 40.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.601 -0.687 . . . . 0.0 109.379 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -85.72 151.06 24.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.224 -0.922 . . . . 0.0 108.612 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.53 -39.96 8.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.459 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -39.95 87.7 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.097 -1.002 . . . . 0.0 109.265 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.037 -1.039 . . . . 0.0 109.101 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.32 -39.77 91.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.378 -0.826 . . . . 0.0 109.015 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -54.72 -40.04 68.82 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 108.631 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.97 -40.01 79.1 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.513 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.71 -50.0 75.52 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.898 . . . . 0.0 109.596 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.8 -45.7 80.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.393 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -74.13 -23.15 59.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.241 -1.537 . . . . 0.0 110.892 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 64.7 t-20 -86.79 -32.94 20.07 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.616 -1.302 . . . . 0.0 110.611 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HG13 ' A' ' 13' ' ' VAL . 99.5 mt-10 -105.93 -27.89 10.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.667 -1.271 . . . . 0.0 109.628 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 44' ' ' LEU . 28.3 mt -116.76 35.6 4.53 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 77.3 p -44.08 -91.99 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.291 -0.88 . . . . 0.0 110.175 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.436 ' N ' ' OG ' ' A' ' 41' ' ' SER . 95.2 m-70 -103.93 3.29 33.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.466 -0.771 . . . . 0.0 109.478 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.736 ' C ' HD12 ' A' ' 44' ' ' LEU . 88.4 m-85 -69.13 -40.0 78.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.224 -0.923 . . . . 0.0 109.485 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 43' ' ' PHE . 8.6 mp -129.05 -98.79 0.35 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.413 -0.804 . . . . 0.0 109.36 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -91.28 133.07 35.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 109.734 -179.091 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 86.6 tt0 -92.54 119.67 32.24 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.18 118.48 44.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-O 122.064 0.935 . . . . 0.0 110.256 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.51 -9.79 1.9 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.31 151.99 43.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.701 . . . . 0.0 110.001 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASP . 18.0 pt20 -72.78 -18.83 61.45 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 110.754 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 16.1 t -68.25 -49.15 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.5 t -61.66 -41.47 90.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.265 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' GLN . 91.4 m-20 -70.0 -42.26 73.27 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.062 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -68.52 -39.23 81.29 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.05 -34.2 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 60.2 mmm -72.15 -40.01 68.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 109.199 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.01 -27.26 66.73 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' HD12 ' A' ' 60' ' ' LEU . 9.9 m -69.95 -38.89 76.28 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD11 ' SD ' ' A' ' 79' ' ' MET . 10.2 mp -105.31 -54.79 2.43 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.106 -0.996 . . . . 0.0 108.589 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.5 t0 -70.04 55.58 0.14 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -67.24 2.14 1.77 Allowed 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.0 m-20 -79.78 -31.7 40.86 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.99 10.23 84.23 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.346 -2.302 . . . . 0.0 107.346 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.9 p-10 -83.57 0.27 47.37 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.76 32.56 78.2 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -143.99 155.61 44.09 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.362 -1.081 . . . . 0.0 110.78 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.7 122.52 29.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.11 169.88 12.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.885 -1.134 . . . . 0.0 110.217 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 4.6 m-85 -48.16 -48.56 34.27 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.517 -0.74 . . . . 0.0 109.462 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.97 -40.98 90.95 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.37 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 60' ' ' LEU . 47.5 mt-10 -66.07 -41.33 90.87 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.695 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 1.7 t80 -63.67 -39.37 94.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.719 -1.238 . . . . 0.0 107.687 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.1 mmm -60.05 -38.48 82.93 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.71 71.72 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.954 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 80' ' ' VAL . 64.9 t80 -59.99 -43.34 95.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.033 -1.042 . . . . 0.0 109.36 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -59.98 -41.1 85.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -60.05 -40.43 89.38 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.718 -0.614 . . . . 0.0 109.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 60' ' ' LEU . 41.3 mtp -66.44 -44.6 82.42 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.699 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 76' ' ' PHE . 1.7 t -80.67 -30.05 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.08 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -65.69 -40.0 91.84 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -69.99 -39.96 75.59 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.8 79.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.427 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.67 -40.0 76.66 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 108.878 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.98 -40.5 89.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.407 -0.808 . . . . 0.0 109.882 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.78 -40.01 90.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 110.002 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.301 -1.518 0 O-C-N 120.966 -1.084 . . . . 0.0 109.015 179.716 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.421 0.629 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -68.69 -31.31 70.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.325 -0.86 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.71 -24.7 36.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.038 -1.039 . . . . 0.0 110.941 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 98.9 mt-10 -59.98 -47.93 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.749 -1.219 . . . . 0.0 110.862 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' B' ' 6' ' ' ALA . 11.3 pttp -68.56 -41.59 79.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.584 -1.322 . . . . 0.0 109.123 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' B' ' 5' ' ' LYS . . . -70.37 -42.02 72.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.891 -0.506 . . . . 0.0 111.158 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.729 -1.232 . . . . 0.0 108.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.6 t -63.72 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.65 93.46 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.843 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.18 -40.02 88.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.961 -1.087 . . . . 0.0 108.672 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.11 -39.97 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.87 . . . . 0.0 109.109 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.853 -1.154 . . . . 0.0 109.161 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.584 HG13 ' OE2' ' B' ' 39' ' ' GLU . 41.2 t -59.97 -39.51 80.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -49.16 -57.77 6.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.553 -0.717 . . . . 0.0 110.143 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -74.55 -22.77 58.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.182 -0.949 . . . . 0.0 111.441 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -55.4 -40.45 71.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.92 . . . . 0.0 111.128 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -119.65 -24.32 6.26 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.077 -1.014 . . . . 0.0 110.732 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.8 m -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.838 -1.164 . . . . 0.0 110.331 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 1.78 37.14 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.5 ttt-85 -60.01 -46.78 88.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.236 -1.155 . . . . 0.0 109.701 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -167.21 172.04 10.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.397 -0.814 . . . . 0.0 108.889 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.05 -160.6 27.35 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.907 -1.121 . . . . 0.0 110.636 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 94.9 m-20 -90.37 0.99 57.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.63 -0.924 . . . . 0.0 110.525 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 4.2 tmtt? 80.27 -47.13 0.31 Allowed 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.634 0.731 . . . . 0.0 109.325 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -72.45 -17.38 61.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.592 -0.692 . . . . 0.0 110.241 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -128.59 152.66 48.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.346 -0.846 . . . . 0.0 109.8 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -112.24 120.1 40.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.685 -0.635 . . . . 0.0 109.452 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -86.14 150.99 24.03 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.26 -0.9 . . . . 0.0 108.664 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.48 -39.88 7.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.132 -0.98 . . . . 0.0 109.523 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.6 m -60.02 -40.0 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.075 -1.015 . . . . 0.0 109.183 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.06 -39.96 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 109.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.12 -39.94 91.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -54.78 -39.96 68.95 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 108.626 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.95 -40.02 79.17 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.274 -0.97 . . . . 0.0 108.541 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.79 -50.05 75.38 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.28 -0.888 . . . . 0.0 109.57 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -68.78 -45.5 80.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.4 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -74.33 -23.18 59.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.276 -1.515 . . . . 0.0 110.952 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' B' ' 38' ' ' ASN . 64.6 t-20 -86.77 -32.91 20.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.632 -1.293 . . . . 0.0 110.577 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.584 ' OE2' HG13 ' B' ' 13' ' ' VAL . 99.8 mt-10 -105.81 -28.16 10.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.755 -1.216 . . . . 0.0 109.648 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.543 HD22 HD13 ' B' ' 44' ' ' LEU . 27.4 mt -116.62 35.82 4.41 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 77.2 p -44.15 -91.81 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.273 -0.892 . . . . 0.0 110.213 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.433 ' N ' ' OG ' ' B' ' 41' ' ' SER . 95.4 m-70 -104.0 3.21 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.432 -0.793 . . . . 0.0 109.435 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.727 ' C ' HD12 ' B' ' 44' ' ' LEU . 89.3 m-85 -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 109.497 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.727 HD12 ' C ' ' B' ' 43' ' ' PHE . 8.4 mp -129.01 -98.78 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -91.22 132.91 35.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.56 -0.712 . . . . 0.0 109.772 -179.015 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -92.33 119.66 32.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.26 118.48 44.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 122.046 0.927 . . . . 0.0 110.187 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.493 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.38 -9.8 1.94 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.503 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -124.32 152.01 43.61 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.548 -0.72 . . . . 0.0 109.959 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' B' ' 54' ' ' ASP . 18.0 pt20 -72.8 -18.77 61.44 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.726 -0.609 . . . . 0.0 110.68 -177.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' B' ' 51' ' ' GLU . 16.2 t -68.55 -48.81 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.04 -41.42 91.02 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.232 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 91.4 m-20 -70.02 -42.34 73.1 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.979 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -68.37 -39.3 81.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.98 -34.31 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.3 mmm -71.99 -40.08 68.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.0 109.211 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -27.25 66.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.47 -1.394 . . . . 0.0 107.253 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.436 ' C ' HD12 ' B' ' 60' ' ' LEU . 10.0 m -70.04 -38.77 75.93 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.965 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.587 HD11 ' SD ' ' B' ' 79' ' ' MET . 10.1 mp -105.43 -54.84 2.42 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.164 -0.96 . . . . 0.0 108.593 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.9 t0 -70.06 55.69 0.14 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.0 mt-10 -67.46 2.46 1.74 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.7 m-20 -79.85 -31.7 40.5 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.8 10.25 84.41 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.1 p-10 -83.5 0.26 47.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.72 32.6 78.45 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.6 mt-10 -143.94 155.6 44.11 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.329 -1.101 . . . . 0.0 110.77 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -129.52 122.42 29.2 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.15 169.31 12.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.85 -1.156 . . . . 0.0 110.26 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 4.6 m-85 -47.57 -48.7 27.85 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.571 -0.705 . . . . 0.0 109.518 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.553 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -60.01 -40.72 90.22 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.373 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 60' ' ' LEU . 47.3 mt-10 -66.37 -41.31 89.61 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.576 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 1.6 t80 -63.52 -39.43 94.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.721 -1.237 . . . . 0.0 107.755 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.5 mmm -60.07 -38.64 83.45 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.86 71.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.0 -1.063 . . . . 0.0 110.006 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' B' ' 80' ' ' VAL . 64.9 t80 -60.06 -43.03 95.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.357 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.7 OUTLIER -60.0 -41.48 86.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.9 t -60.13 -40.2 88.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.754 -0.592 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.587 ' SD ' HD11 ' B' ' 60' ' ' LEU . 37.8 mtp -66.66 -44.26 82.31 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.675 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' B' ' 76' ' ' PHE . 1.8 t -80.87 -29.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.875 -1.141 . . . . 0.0 109.145 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.2 m -65.65 -40.04 92.04 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 p -69.93 -40.0 75.77 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.31 78.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 50.6 t -69.97 -39.99 75.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.0 108.872 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.07 -40.27 88.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.87 -40.05 91.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.98 -1.075 . . . . 0.0 109.997 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 C--N 1.301 -1.535 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.071 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -61.11 -39.51 90.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.97 -40.06 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.566 -0.709 . . . . 0.0 110.043 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 108.406 179.842 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -61.19 -39.32 89.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.505 -0.747 . . . . 0.0 109.306 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.0 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.614 -0.679 . . . . 0.0 110.118 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.85 -38.85 83.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.694 -1.253 . . . . 0.0 108.408 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.566 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.327 -0.858 . . . . 0.0 108.931 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.93 -19.46 1.02 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.934 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.4 tt0 -59.98 -50.82 72.24 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.785 -1.197 . . . . 0.0 110.086 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -71.1 -39.99 71.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.458 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.76 96.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.0 tpp -59.98 -44.65 94.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.043 . . . . 0.0 109.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 4' ' ' GLU . 92.8 t -60.18 -40.05 82.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.495 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.05 -41.4 92.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.933 -1.105 . . . . 0.0 109.679 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.79 -41.37 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.892 -1.13 . . . . 0.0 108.758 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.5 -39.52 81.23 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.157 -0.964 . . . . 0.0 109.141 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.93 -39.92 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -47.78 -54.21 13.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.381 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.65 -22.87 46.21 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.251 -0.906 . . . . 0.0 111.701 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.99 -46.21 90.2 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 111.395 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 38.4 p90 -102.39 -33.48 9.54 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.904 -1.123 . . . . 0.0 110.475 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.7 p -62.71 -39.09 92.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.046 -1.034 . . . . 0.0 111.283 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.65 1.85 65.54 Favored Glycine 0 N--CA 1.494 2.533 0 C-N-CA 119.915 -1.136 . . . . 0.0 111.315 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 20' ' ' ARG . 50.2 mtt-85 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.608 -1.525 . . . . 0.0 110.782 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -161.73 158.28 25.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.734 -1.229 . . . . 0.0 110.086 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -164.65 51.42 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.31 140.58 31.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.479 -1.013 . . . . 0.0 109.77 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -68.36 -26.24 65.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.428 -0.795 . . . . 0.0 110.048 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.13 -35.6 69.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.842 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -124.54 160.17 28.96 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.171 -0.956 . . . . 0.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -118.95 122.62 42.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.81 -0.556 . . . . 0.0 110.86 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 79.4 tttt -86.9 148.21 25.45 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.8 ptpt -42.21 -34.85 0.82 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.192 -0.943 . . . . 0.0 110.046 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -62.37 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.921 -1.112 . . . . 0.0 108.913 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' LYS . 49.9 mt-10 -69.24 -40.02 78.13 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -52.0 -39.94 60.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 68.1 mm-40 -71.02 -40.33 71.82 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.707 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 110.571 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.12 -41.5 79.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.903 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -84.84 -22.39 29.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.183 -1.573 . . . . 0.0 111.079 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 57.9 t-20 -86.81 -42.59 13.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.559 -1.338 . . . . 0.0 110.436 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -83.68 -37.09 23.2 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.719 -1.238 . . . . 0.0 108.622 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 45' ' ' GLU . 19.4 mt -119.57 73.73 0.97 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 45' ' ' GLU . 61.8 m -65.85 -74.68 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 109.694 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -129.57 -14.04 4.2 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.361 -0.837 . . . . 0.0 109.351 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.03 -40.81 90.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 110.603 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.11 -50.01 1.93 Allowed 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 110.138 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 41' ' ' SER . 85.2 mt-10 -130.3 132.43 45.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.378 -0.826 . . . . 0.0 111.584 -177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -115.62 117.45 30.34 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.14 133.79 33.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.413 1.101 . . . . 0.0 108.721 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.2 -25.04 1.07 Allowed 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -179.128 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.54 143.92 49.89 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.633 0.73 . . . . 0.0 110.445 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.51 -17.98 63.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.9 pt-20 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.678 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.3 t -60.83 -51.6 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.76 -45.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.287 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.73 -39.97 84.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.874 -1.141 . . . . 0.0 109.348 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -67.8 -38.7 83.65 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' VAL . 50.5 t -66.69 -38.01 80.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 65.3 mmm -70.68 -42.3 70.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.293 -0.879 . . . . 0.0 109.074 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.37 -30.49 69.59 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.52 -1.362 . . . . 0.0 107.854 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.988 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 64.5 mt -106.22 -52.26 2.83 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.226 -0.921 . . . . 0.0 109.859 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.3 t0 -72.04 54.29 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 98.9 mt-10 -67.58 5.19 0.85 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.584 0.707 . . . . 0.0 109.375 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.5 m-20 -80.67 -28.79 36.7 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.53 87.55 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 107.764 -2.134 . . . . 0.0 107.764 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 p-10 -85.72 2.75 44.17 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.19 33.16 82.1 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.9 mt-10 -143.9 153.81 42.69 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.275 -1.132 . . . . 0.0 110.719 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 9.0 t -130.36 123.54 30.17 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.575 -0.703 . . . . 0.0 109.127 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.84 171.13 9.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.087 -1.008 . . . . 0.0 109.652 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 3.8 m-85 -48.31 -49.85 32.4 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.572 -0.705 . . . . 0.0 109.501 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.98 -43.61 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.01 -39.99 75.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.419 ' CE ' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -58.44 -33.81 70.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 108.937 -178.787 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -69.25 -27.47 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.971 -1.081 . . . . 0.0 109.475 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.026 . . . . 0.0 109.239 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -68.22 -40.05 82.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.125 -0.984 . . . . 0.0 108.754 -179.643 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -65.16 -42.76 93.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.597 -0.689 . . . . 0.0 111.321 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ptm -69.93 -40.48 75.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.498 -1.376 . . . . 0.0 109.55 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.21 -39.59 77.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.664 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.444 HG21 ' CE ' ' B' ' 74' ' ' MET . 93.1 m -67.83 -39.97 83.82 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 m -68.79 -40.01 79.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.58 -0.7 . . . . 0.0 109.167 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.03 78.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 111.013 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 23.2 p -65.69 -42.28 91.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.884 -1.135 . . . . 0.0 109.563 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 51.5 t-80 -60.35 -39.96 89.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 0.0 110.095 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.6 -39.99 86.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 C--N 1.3 -1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 109.214 178.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.386 0.612 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.97 -40.01 87.63 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.35 -0.844 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.18 -19.27 1.12 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.013 . . . . 0.0 109.871 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.0 tt0 -60.07 -50.76 72.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 110.12 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -71.04 -39.99 71.98 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.932 -1.105 . . . . 0.0 109.526 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.6 95.7 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.415 -0.803 . . . . 0.0 110.234 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.97 -44.49 94.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.951 -1.093 . . . . 0.0 109.676 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 4' ' ' GLU . 88.6 t -60.29 -40.03 82.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.61 92.35 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.31 -41.83 94.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.968 -1.082 . . . . 0.0 109.607 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.37 -41.56 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.992 -1.068 . . . . 0.0 108.723 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.49 -39.57 81.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.134 -0.979 . . . . 0.0 109.141 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.81 -39.99 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.648 ' CZ ' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -47.65 -54.37 12.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.315 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.44 -22.87 47.0 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 111.864 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.04 -46.19 90.33 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 111.435 -177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.543 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.1 p90 -102.42 -33.72 9.44 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.889 -1.132 . . . . 0.0 110.491 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 55.0 p -62.28 -39.3 92.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.029 -1.045 . . . . 0.0 111.19 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 1.04 65.01 Favored Glycine 0 N--CA 1.494 2.518 0 O-C-N 120.962 -1.086 . . . . 0.0 111.453 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' B' ' 20' ' ' ARG . 50.1 mtt-85 -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.627 -1.513 . . . . 0.0 110.871 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -161.54 158.32 26.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.686 -1.259 . . . . 0.0 110.091 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.01 -164.55 51.58 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.29 140.71 31.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.55 -0.97 . . . . 0.0 109.714 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -68.48 -26.18 65.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.409 -0.807 . . . . 0.0 110.028 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.18 -35.58 69.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.848 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -124.56 160.38 28.51 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -119.26 122.75 42.62 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.878 -0.514 . . . . 0.0 110.778 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' GLU . 80.0 tttt -87.11 148.26 25.3 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.7 ptpt -42.09 -34.87 0.79 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.258 -0.901 . . . . 0.0 110.037 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -62.33 -40.2 95.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.999 -1.063 . . . . 0.0 108.894 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 28' ' ' LYS . 49.6 mt-10 -69.28 -40.03 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.12 -37.68 83.63 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -52.25 -39.99 61.09 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 68.4 mm-40 -70.85 -40.58 72.27 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.615 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.955 -1.09 . . . . 0.0 110.634 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.0 -41.52 79.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.872 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.81 -22.44 29.51 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.202 -1.561 . . . . 0.0 111.105 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 57.9 t-20 -86.77 -42.6 13.19 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.541 -1.35 . . . . 0.0 110.449 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -83.62 -37.21 23.18 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.636 -1.29 . . . . 0.0 108.636 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' GLU . 19.3 mt -119.5 73.69 0.97 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 45' ' ' GLU . 39.8 m -66.35 -74.09 0.12 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.931 -1.106 . . . . 0.0 109.672 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -129.3 -14.35 4.29 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.01 -40.96 91.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.391 -0.818 . . . . 0.0 110.623 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.03 -50.07 1.94 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.122 -0.986 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 41' ' ' SER . 85.2 mt-10 -130.36 132.69 45.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.297 -0.877 . . . . 0.0 111.463 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -115.96 117.25 29.62 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.84 133.96 33.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-O 122.428 1.108 . . . . 0.0 108.83 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.31 -25.09 1.06 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -123.5 143.99 49.82 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.646 0.736 . . . . 0.0 110.366 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -69.79 -17.88 63.44 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.94 -40.14 87.94 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.704 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 56' ' ' VAL . 3.1 t -60.8 -51.73 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.68 -45.69 97.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.321 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.68 -39.95 84.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 0.0 109.324 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -67.79 -38.86 83.91 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.0 t -66.41 -38.26 81.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.56 -42.42 71.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 109.114 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.35 -30.38 69.51 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.472 -1.392 . . . . 0.0 107.846 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.986 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' B' ' 75' ' ' ALA . 67.2 mt -106.03 -52.37 2.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.237 -0.914 . . . . 0.0 109.855 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.7 t0 -72.07 54.19 0.28 Allowed 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 60' ' ' LEU . 98.9 mt-10 -67.57 5.16 0.86 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.603 0.716 . . . . 0.0 109.337 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -80.53 -28.81 37.26 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 8.76 87.38 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.727 -2.149 . . . . 0.0 107.727 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 44.0 p-10 -86.14 3.16 43.95 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.467 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.64 33.72 85.31 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.596 -1.802 . . . . 0.0 108.596 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.3 mt-10 -144.13 153.75 42.47 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.372 -1.075 . . . . 0.0 110.681 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.6 t -130.4 123.37 29.7 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.55 171.34 9.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.648 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 3.8 m-85 -48.49 -49.7 34.71 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.564 0.697 . . . . 0.0 109.512 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -60.01 -43.68 95.08 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.841 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.97 -1.081 . . . . 0.0 109.02 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.06 -36.84 85.32 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.773 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 81' ' ' THR . 0.0 OUTLIER -58.49 -33.7 70.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.363 -0.836 . . . . 0.0 108.919 -178.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' B' ' 60' ' ' LEU . . . -69.17 -27.66 65.72 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.992 -1.067 . . . . 0.0 109.468 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.03 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 109.203 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.455 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.04 -39.93 82.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.112 -0.992 . . . . 0.0 108.8 -179.715 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 73.3 p -65.34 -42.53 92.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 14.3 ptm -70.03 -40.61 75.08 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.473 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.2 -39.45 76.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.624 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 74' ' ' MET . 94.4 m -67.92 -40.01 83.46 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.9 m -68.78 -39.99 79.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.627 -0.671 . . . . 0.0 109.35 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.91 78.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.243 -0.911 . . . . 0.0 110.983 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 21.9 p -65.98 -42.21 90.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.843 -1.16 . . . . 0.0 109.614 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 51.5 t-80 -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 110.127 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -39.96 86.8 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 . . . . . 0 C--N 1.3 -1.553 0 O-C-N 121.078 -1.014 . . . . 0.0 109.208 178.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' X' ' 9' ' ' LYS . 15.7 p30 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.12 0.486 . . . . 0.0 110.112 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' X' ' 8' ' ' ASN . 7.2 ttpm? -60.02 -42.31 94.05 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.077 -1.014 . . . . 0.0 109.936 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.02 -40.04 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.079 -1.013 . . . . 0.0 110.506 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.009 -1.057 . . . . 0.0 109.047 -178.85 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' Y' ' 9' ' ' LYS . 16.4 p30 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.081 0.467 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' Y' ' 8' ' ' ASN . 7.2 ttpm? -60.01 -42.66 94.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.094 -1.004 . . . . 0.0 109.922 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.93 -40.03 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.074 -1.016 . . . . 0.0 110.489 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -39.61 86.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.87 -1.144 . . . . 0.0 109.017 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.63 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.48 0.657 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -17.83 63.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -50.02 -23.42 2.05 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.94 -1.1 . . . . 0.0 108.733 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.23 -52.14 50.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.509 -0.744 . . . . 0.0 110.226 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.77 -29.99 65.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.92 -1.112 . . . . 0.0 110.052 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.92 45.75 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.17 -42.22 94.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.739 -1.225 . . . . 0.0 110.279 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 m -60.81 -39.26 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.09 . . . . 0.0 108.935 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.31 93.26 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.093 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.36 -41.58 93.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.198 -0.938 . . . . 0.0 108.981 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.08 -45.76 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 108.867 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -71.32 -40.06 71.02 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.234 -0.917 . . . . 0.0 109.954 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.97 -33.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CG ' ' CE2' ' A' ' 70' ' ' PHE . 89.3 t80 -59.3 -46.45 88.52 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.372 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -79.87 -22.49 42.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 111.147 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -60.1 -44.56 94.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.014 -1.054 . . . . 0.0 110.886 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 42.6 p90 -105.91 -26.89 11.51 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.108 -0.995 . . . . 0.0 110.69 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 t -60.09 -39.04 84.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.46 -1.4 . . . . 0.0 109.693 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.49 3.22 6.35 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 20' ' ' ARG . 16.9 ttt-85 -60.36 -40.16 89.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -1.143 . . . . 0.0 109.73 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 22' ' ' GLY . 97.4 mt-10 -134.45 163.61 29.3 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.332 -0.855 . . . . 0.0 109.627 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -54.69 -169.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 55.79 50.81 13.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.992 -1.299 . . . . 0.0 109.048 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.39 -25.87 66.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.642 -0.661 . . . . 0.0 110.556 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -70.13 -21.41 63.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 109.881 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -131.32 158.32 40.98 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.342 -0.849 . . . . 0.0 109.8 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.03 138.95 47.97 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.9 ttmm -103.38 154.13 19.73 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 7.8 mtmp? -41.67 -42.73 2.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.382 -0.824 . . . . 0.0 109.828 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -60.81 -40.11 91.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.447 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.4 mt-10 -68.23 -39.99 82.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.183 -0.948 . . . . 0.0 109.263 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -65.45 -39.02 91.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.025 . . . . 0.0 108.536 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.64 -39.83 71.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -69.28 -40.19 77.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.34 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 17.9 tp -59.98 -49.95 75.65 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.647 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.11 -41.4 84.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 110.286 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.67 -24.58 45.05 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.822 -1.174 . . . . 0.0 110.982 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -88.05 -21.77 24.57 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.863 -1.148 . . . . 0.0 110.795 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 21.6 mp0 -109.0 -32.3 7.3 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.925 -1.109 . . . . 0.0 109.409 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' GLU . 22.3 mt -113.43 45.24 1.43 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.449 -0.782 . . . . 0.0 108.963 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -59.92 -53.71 54.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 109.948 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -130.33 -8.3 4.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.502 -0.749 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -62.48 -44.91 95.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.1 -1.0 . . . . 0.0 109.254 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.09 -99.59 0.33 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.568 -0.708 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -97.42 141.61 30.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.112 -0.992 . . . . 0.0 111.113 -179.183 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 86.2 tt0 -100.81 119.03 38.05 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.496 HG21 HG23 ' A' ' 53' ' ' VAL . 21.9 mm -90.17 109.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 122.026 0.917 . . . . 0.0 110.97 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -122.33 -14.4 7.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.808 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 80.4 tt0 -124.03 137.47 54.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.631 -0.668 . . . . 0.0 109.979 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -61.63 -25.31 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 15.8 pt-20 -52.45 -42.07 63.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.826 . . . . 0.0 109.783 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.9 t -64.95 -49.84 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.496 HG23 HG21 ' A' ' 47' ' ' ILE . 2.4 t -61.2 -48.28 89.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.363 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.85 -43.74 97.93 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.171 -0.956 . . . . 0.0 109.513 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -70.03 -36.19 74.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.809 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.6 t -72.65 -31.31 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -70.25 -40.03 74.68 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.546 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -68.99 -39.47 79.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.748 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.95 -52.68 3.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.253 -0.904 . . . . 0.0 109.285 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.1 t0 -79.91 57.16 2.52 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -68.42 1.31 3.12 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.1 m-20 -76.43 -34.22 58.79 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 10.87 70.15 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.4 p-10 -84.47 3.15 37.66 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.12 33.95 86.12 Favored Glycine 0 N--CA 1.483 1.804 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.3 mt-10 -145.68 159.64 42.86 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.362 -1.081 . . . . 0.0 110.608 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.01 127.72 36.82 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -89.17 170.74 10.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 14' ' ' PHE . 3.1 t80 -49.57 -48.26 48.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.333 -0.854 . . . . 0.0 109.294 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -60.2 -39.98 88.44 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 110.09 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.35 -39.3 81.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.059 -1.025 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.98 -40.76 90.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 108.86 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.7 mmm -60.87 -38.82 86.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.43 70.3 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.177 -0.952 . . . . 0.0 110.396 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -59.68 -40.21 87.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.633 -1.292 . . . . 0.0 108.061 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -66.24 -40.17 86.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 107.661 -1.236 . . . . 0.0 107.661 178.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.7 t -62.57 -46.63 87.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.669 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -69.58 -40.09 76.94 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.292 -1.363 . . . . 0.0 110.019 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.64 -34.86 29.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.02 -1.05 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' VAL . 51.6 m -69.26 -39.82 78.19 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' SER . 92.6 m -66.66 -40.05 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.04 94.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.065 -1.022 . . . . 0.0 109.067 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.6 t -62.1 -47.42 84.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.842 . . . . 0.0 108.962 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.15 -39.89 87.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.448 -0.782 . . . . 0.0 108.925 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.19 -40.03 88.6 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.595 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.426 0.631 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.2 -17.92 64.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.66 -23.38 1.7 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 108.767 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -66.64 -51.91 50.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -71.74 -30.01 65.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.965 -1.085 . . . . 0.0 109.992 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.3 -40.02 45.83 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 110.379 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.4 ttm -59.91 -42.55 94.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.888 -1.132 . . . . 0.0 110.244 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -60.88 -39.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.138 -0.977 . . . . 0.0 108.936 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.86 93.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.9 -41.24 91.74 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.218 -0.926 . . . . 0.0 108.766 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.21 -45.77 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 108.75 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.06 -40.34 71.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 0.0 110.053 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -60.13 -32.81 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.455 ' CG ' ' CE2' ' B' ' 70' ' ' PHE . 88.7 t80 -58.7 -47.18 85.44 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.272 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.57 -22.73 43.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 111.273 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.88 -44.53 94.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.96 -1.088 . . . . 0.0 110.965 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 41.5 p90 -105.82 -26.87 11.57 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.079 -1.013 . . . . 0.0 110.809 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -60.21 -38.97 84.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.408 -1.432 . . . . 0.0 109.801 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.61 2.88 6.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 20' ' ' ARG . 17.4 ttt-85 -60.21 -39.86 88.08 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.359 -1.083 . . . . 0.0 109.672 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 22' ' ' GLY . 96.6 mt-10 -134.26 163.28 29.99 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.384 -0.823 . . . . 0.0 109.518 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.05 -169.11 0.05 OUTLIER Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 56.11 50.47 13.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -1.227 . . . . 0.0 108.942 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.08 -26.35 66.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.608 -0.683 . . . . 0.0 110.619 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -69.96 -21.12 63.28 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.921 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.25 158.11 41.46 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.3 -0.875 . . . . 0.0 109.755 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -111.9 139.06 47.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.6 ttmm -103.39 154.12 19.75 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 7.8 mtmp? -41.89 -43.21 2.97 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.385 -0.822 . . . . 0.0 109.609 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -60.45 -40.09 89.89 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 109.693 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 46.9 mt-10 -68.12 -39.87 82.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 109.337 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.8 -39.71 94.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.186 -0.946 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.58 -39.92 71.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 38' ' ' ASN . 50.1 tp10 -68.95 -40.72 78.77 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.526 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.518 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 16.0 tp -59.91 -50.03 75.39 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.83 -41.36 84.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 O-C-N 120.771 -1.206 . . . . 0.0 110.408 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.74 -24.62 44.71 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.0 110.929 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' B' ' 34' ' ' GLU . 18.8 t-20 -87.94 -21.68 24.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.797 -1.189 . . . . 0.0 110.939 -178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 22.8 mp0 -109.39 -31.78 7.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.929 -1.107 . . . . 0.0 109.383 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' B' ' 45' ' ' GLU . 22.5 mt -113.68 44.85 1.53 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -59.97 -53.67 55.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.915 -1.115 . . . . 0.0 109.973 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -130.23 -8.23 4.28 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.411 -0.806 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -62.6 -44.73 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 109.393 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.1 -99.64 0.33 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.518 -0.739 . . . . 0.0 109.117 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 0.7 OUTLIER -97.75 142.55 29.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.08 -1.012 . . . . 0.0 110.982 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -101.25 119.37 38.65 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 53' ' ' VAL . 22.1 mm -90.22 110.04 21.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.995 0.902 . . . . 0.0 110.852 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -122.47 -14.1 7.88 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.699 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.7 tt0 -123.88 137.83 54.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.613 -0.68 . . . . 0.0 109.915 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -62.26 -25.21 67.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.355 -0.84 . . . . 0.0 110.065 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.533 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 15.6 pt-20 -52.37 -42.5 64.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.852 . . . . 0.0 109.651 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' ' 56' ' ' VAL . 1.6 t -64.56 -49.75 79.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG23 HG21 ' B' ' 47' ' ' ILE . 2.3 t -61.39 -48.13 90.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.72 -44.39 96.69 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.323 -0.86 . . . . 0.0 109.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -69.77 -35.73 75.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.244 -0.91 . . . . 0.0 109.09 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 52' ' ' VAL . 55.4 t -73.26 -31.08 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.574 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.2 OUTLIER -70.26 -40.2 74.52 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.459 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.03 -31.74 70.25 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -39.31 78.31 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -102.79 -52.93 2.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 109.162 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.2 t0 -79.78 57.08 2.44 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -68.2 1.08 3.09 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.2 m-20 -76.24 -34.61 59.19 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.09 69.54 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.0 p-10 -84.5 3.23 37.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.06 33.81 85.5 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.3 mt-10 -145.58 159.56 42.95 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.369 -1.077 . . . . 0.0 110.834 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -132.0 127.7 36.81 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -89.25 170.72 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.451 -0.781 . . . . 0.0 109.508 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE2' ' CG ' ' B' ' 14' ' ' PHE . 3.3 t80 -49.6 -48.27 49.02 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.326 -0.859 . . . . 0.0 109.225 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.1 -39.8 87.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 110.114 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.79 -38.85 80.28 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.956 -1.09 . . . . 0.0 109.388 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.04 -41.44 92.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 108.526 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.25 -38.91 84.95 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.9 70.85 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.211 -0.93 . . . . 0.0 110.475 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -59.66 -40.04 86.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.799 -1.188 . . . . 0.0 108.086 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' B' ' 81' ' ' THR . 0.8 OUTLIER -66.39 -40.29 86.27 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -46.93 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.63 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -69.42 -40.0 77.54 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.008 -1.477 . . . . 0.0 110.05 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.55 -34.69 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.935 -1.103 . . . . 0.0 108.342 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' B' ' 77' ' ' VAL . 52.1 m -69.36 -39.91 77.81 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.7 m -66.87 -40.09 87.72 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.467 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.92 94.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.152 -0.968 . . . . 0.0 109.074 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.04 -47.2 85.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 108.985 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.24 -40.06 88.92 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -39.84 88.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.3 -1.581 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.5 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' X' ' 9' ' ' LYS . 12.0 p30 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' X' ' 8' ' ' ASN . 62.7 tttp -59.92 -49.97 75.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 0.0 110.213 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.47 -24.8 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.301 -1.543 0 O-C-N 121.149 -0.97 . . . . 0.0 109.808 -178.881 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' Y' ' 9' ' ' LYS . 12.3 p30 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.605 0.717 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' Y' ' 8' ' ' ASN . 63.5 tttp -59.92 -49.84 76.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.75 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -70.25 -24.81 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.32 -39.86 84.45 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.247 -0.908 . . . . 0.0 109.777 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.63 -179.695 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.329 0.585 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 4' ' ' GLU . 98.1 mt-10 -60.97 -36.38 79.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 109.818 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.32 -23.79 0.64 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 108.735 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.3 tt0 -67.91 -59.24 3.44 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.827 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -33.42 71.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.119 -0.988 . . . . 0.0 109.607 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.99 92.01 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.085 -1.009 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.7 ttm -60.6 -40.28 91.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.007 -1.058 . . . . 0.0 109.183 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.02 -40.49 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.76 87.08 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.404 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.89 -41.27 95.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.043 -1.036 . . . . 0.0 109.661 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -40.38 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.993 -1.067 . . . . 0.0 108.907 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.94 75.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.62 -35.83 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.22 -49.41 76.11 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.976 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' B' ' 85' ' ' HIS . 37.8 m170 -80.8 -22.59 39.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.08 -1.013 . . . . 0.0 111.156 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -59.62 -42.49 92.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.117 -0.989 . . . . 0.0 112.009 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CD2' HD23 ' A' ' 35' ' ' LEU . 32.8 p90 -110.26 -30.98 7.48 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.86 -1.15 . . . . 0.0 111.038 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' HD21 ' A' ' 27' ' ' LEU . 56.7 p -62.09 -41.56 98.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.972 -1.08 . . . . 0.0 111.05 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.35 13.55 64.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 31.2 ttt-85 -68.81 -42.74 76.87 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.671 -1.488 . . . . 0.0 109.824 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -162.48 156.29 20.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.702 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.24 -151.83 35.39 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.75 116.05 21.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -1.065 . . . . 0.0 110.114 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -67.41 -26.39 66.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.543 -0.723 . . . . 0.0 109.971 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.55 -35.67 73.24 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.233 -0.917 . . . . 0.0 111.661 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -129.53 155.65 45.43 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.08 -1.013 . . . . 0.0 109.697 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 18' ' ' SER . 78.2 mt -104.95 128.89 53.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.549 -0.72 . . . . 0.0 110.506 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.9 ttpt -100.47 148.87 24.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.5 ptmt -40.65 -40.59 1.32 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.692 -0.63 . . . . 0.0 111.121 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 69.8 m -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.665 -1.272 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.947 -1.096 . . . . 0.0 108.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.44 -37.95 89.27 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.388 -0.82 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.77 -40.02 72.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.753 -1.217 . . . . 0.0 107.738 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' ASN . 85.2 tt0 -66.53 -40.25 89.01 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.269 -0.972 . . . . 0.0 108.487 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.05 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.432 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.43 HG22 HD11 ' A' ' 47' ' ' ILE . 57.0 mt -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.932 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 35.2 t30 -80.55 -23.11 40.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.754 -1.216 . . . . 0.0 111.675 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' GLU . 20.2 t-20 -89.03 -27.31 20.93 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.836 -1.165 . . . . 0.0 111.329 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 19.4 mp0 -101.77 -24.93 13.99 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.87 -1.144 . . . . 0.0 108.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 45' ' ' GLU . 16.3 mt -123.64 46.65 2.18 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -43.63 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -122.66 14.63 10.17 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.477 -0.764 . . . . 0.0 109.949 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.6 m-85 -68.67 -39.95 80.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.001 -1.062 . . . . 0.0 110.055 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -156.48 -35.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.783 -1.198 . . . . 0.0 109.947 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' HD12 ' A' ' 44' ' ' LEU . 90.9 mt-10 -119.51 117.5 28.58 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.299 -0.876 . . . . 0.0 110.153 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -107.75 121.82 45.49 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 HG22 ' A' ' 36' ' ' ILE . 1.3 mm -103.78 122.61 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 122.298 1.047 . . . . 0.0 109.95 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.578 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.63 -13.28 1.73 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -124.51 157.86 34.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.492 -0.755 . . . . 0.0 110.392 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.54 -20.93 49.57 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.08 -41.11 91.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 110.102 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.7 t -64.39 -46.3 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.13 -44.73 98.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.136 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.12 -42.67 96.77 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.807 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -37.51 75.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.154 -0.966 . . . . 0.0 108.998 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' VAL . 46.1 t -68.06 -35.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.706 -0.621 . . . . 0.0 109.467 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.7 mmm -70.22 -39.96 74.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.053 -1.029 . . . . 0.0 109.898 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.87 -27.55 66.78 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.401 -1.437 . . . . 0.0 107.27 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -72.57 -35.32 67.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.988 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.7 mt -103.57 -58.7 1.83 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.8 t0 -69.51 56.84 0.12 Allowed 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 95.7 mt-10 -66.54 6.18 0.49 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.608 0.718 . . . . 0.0 109.47 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.7 m-20 -93.62 -29.05 15.66 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.2 85.17 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 36.3 p-10 -79.46 1.65 24.81 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.42 31.33 71.2 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 107.908 -2.077 . . . . 0.0 107.908 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.7 mt-10 -143.39 155.65 44.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.548 -0.972 . . . . 0.0 110.057 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 2.8 t -132.7 126.73 33.22 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -84.99 170.05 13.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.016 -1.052 . . . . 0.0 109.565 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 14.1 p90 -54.77 -43.21 72.58 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.566 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -63.38 -40.74 98.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.62 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.33 -39.94 77.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 110.684 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -67.85 -37.57 82.02 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.58 -34.63 74.47 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 109.099 -179.027 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -29.74 68.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.146 -0.971 . . . . 0.0 110.117 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.76 -40.81 89.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.01 -1.056 . . . . 0.0 108.678 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.96 -43.07 91.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.443 -0.786 . . . . 0.0 108.947 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -60.15 -44.1 95.23 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.604 -0.685 . . . . 0.0 109.826 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.3 -45.3 95.04 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.097 -1.041 . . . . 0.0 109.449 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.4 -38.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.6 m -61.23 -40.15 92.94 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.9 m -67.57 -41.02 84.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.27 73.27 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.274 -0.891 . . . . 0.0 109.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -61.06 -40.24 92.92 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.156 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.28 -38.02 82.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.127 -0.983 . . . . 0.0 109.615 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.57 -31.01 65.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 108.7 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -51.61 -32.75 30.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.8 116.71 25.07 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.224 -0.923 . . . . 0.0 108.918 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -99.29 -162.11 0.93 Allowed 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -60.06 -40.26 88.86 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.461 -0.774 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.357 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 4' ' ' GLU . 98.7 mt-10 -60.75 -35.37 76.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.9 -22.16 0.79 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.909 -1.119 . . . . 0.0 108.872 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.0 tt0 -68.83 -59.29 3.19 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.619 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -33.78 72.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 109.571 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.75 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.869 -1.145 . . . . 0.0 109.71 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 59.4 ttm -60.45 -40.43 91.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.05 -40.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.75 91.27 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.368 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.86 -41.14 97.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.912 -1.117 . . . . 0.0 109.602 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -40.52 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.897 -1.127 . . . . 0.0 108.88 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.02 -39.78 75.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.45 -36.61 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -56.64 -49.43 75.04 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 109.86 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 85' ' ' HIS . 38.3 m170 -80.93 -22.23 39.84 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.898 -1.126 . . . . 0.0 111.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.08 -42.32 94.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 0.0 111.814 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.578 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -110.18 -31.01 7.49 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.927 -1.108 . . . . 0.0 111.116 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.463 ' CB ' HD21 ' B' ' 27' ' ' LEU . 60.7 p -61.73 -41.71 97.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.056 -1.028 . . . . 0.0 110.95 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.27 13.28 65.51 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 20' ' ' ARG . 27.9 ttt-85 -69.16 -42.83 75.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.893 -1.357 . . . . 0.0 109.845 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -161.94 156.67 22.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.333 -0.854 . . . . 0.0 109.664 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.04 -151.36 35.12 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -82.3 115.56 21.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -1.085 . . . . 0.0 110.146 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -67.11 -26.29 66.63 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.432 -0.792 . . . . 0.0 110.116 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.58 -35.84 73.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 111.471 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -129.48 155.83 45.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.131 -0.981 . . . . 0.0 109.549 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' B' ' 18' ' ' SER . 76.0 mt -105.15 128.28 53.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.635 -0.666 . . . . 0.0 110.698 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' B' ' 30' ' ' SER . 30.3 ttpt -99.37 149.04 23.56 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -40.79 -40.71 1.4 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.4 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 57.0 m -61.71 -43.52 98.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.518 -1.364 . . . . 0.0 110.524 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.13 -39.81 75.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.849 -1.157 . . . . 0.0 108.943 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -38.25 90.44 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.517 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.78 -39.88 71.85 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 38' ' ' ASN . 84.7 tt0 -66.74 -40.31 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.446 -0.901 . . . . 0.0 108.614 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.728 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -59.87 -49.98 75.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.351 -0.843 . . . . 0.0 109.254 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.412 HG22 HD11 ' B' ' 47' ' ' ILE . 57.0 mt -65.72 -43.45 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -80.44 -23.48 40.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.855 -1.153 . . . . 0.0 111.619 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 34' ' ' GLU . 20.4 t-20 -88.64 -27.61 21.18 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.778 -1.201 . . . . 0.0 111.468 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 20.8 mp0 -101.99 -24.37 14.0 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.854 -1.154 . . . . 0.0 108.977 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' B' ' 45' ' ' GLU . 18.0 mt -124.41 46.64 2.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -44.05 -80.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.294 -0.879 . . . . 0.0 110.675 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -122.84 15.14 10.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.396 -0.815 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.449 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 88.2 m-85 -69.38 -40.17 77.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.784 -1.198 . . . . 0.0 109.939 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 45' ' ' GLU . 0.3 OUTLIER -155.81 -35.54 0.09 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.84 -1.163 . . . . 0.0 110.099 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 40' ' ' LEU . 91.5 mt-10 -119.51 117.28 27.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.497 -0.752 . . . . 0.0 110.354 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -107.21 122.1 45.85 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 36' ' ' ILE . 1.4 mm -104.73 122.45 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 122.294 1.045 . . . . 0.0 109.864 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.85 -12.55 1.71 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.81 157.77 35.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.519 -0.738 . . . . 0.0 110.354 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.8 -20.73 49.09 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -60.04 -41.47 92.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.572 -0.705 . . . . 0.0 110.048 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.451 ' O ' HG23 ' B' ' 56' ' ' VAL . 5.5 t -63.88 -46.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.15 -44.85 99.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.132 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.01 -42.51 97.12 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.9 -1.12 . . . . 0.0 109.88 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.07 -37.52 75.49 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.203 -0.936 . . . . 0.0 108.901 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.1 t -68.13 -35.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 109.506 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -70.38 -39.94 74.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.059 -1.026 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.78 -27.79 66.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.418 -1.426 . . . . 0.0 107.201 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -72.4 -35.42 68.41 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.08 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 62' ' ' GLU . 11.2 mt -103.22 -58.69 1.83 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -69.42 56.8 0.12 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 60' ' ' LEU . 97.6 mt-10 -66.68 6.75 0.43 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.389 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.7 m-20 -93.94 -29.25 15.36 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.34 9.88 85.35 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.545 -1.822 . . . . 0.0 108.545 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.3 p-10 -79.79 2.25 23.71 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.548 -0.972 . . . . 0.0 108.493 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.93 30.97 72.25 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.8 mt-10 -142.89 155.5 44.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.56 -0.965 . . . . 0.0 110.067 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 2.0 t -132.49 126.97 34.2 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.45 169.92 13.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.504 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 14.0 p90 -54.53 -43.27 71.79 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.561 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.9 tt0 -63.23 -40.55 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.799 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.65 -39.83 76.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.975 -1.078 . . . . 0.0 110.502 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -67.79 -37.78 82.49 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.889 0.852 . . . . 0.0 109.162 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.9 -33.95 73.91 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.319 -0.863 . . . . 0.0 109.11 -178.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.52 -29.52 68.12 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.229 -0.919 . . . . 0.0 110.154 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.83 -40.67 89.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.959 -1.088 . . . . 0.0 108.682 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.428 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -59.88 -43.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.41 -0.806 . . . . 0.0 108.827 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -60.26 -44.21 95.49 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.641 -0.662 . . . . 0.0 109.939 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.55 -45.14 95.43 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.153 -1.019 . . . . 0.0 109.429 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.46 -37.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -61.57 -39.95 92.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.213 -0.929 . . . . 0.0 108.702 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 m -68.08 -40.64 82.62 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.178 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.72 73.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.281 -0.887 . . . . 0.0 109.743 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.31 -40.5 94.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.343 -0.848 . . . . 0.0 109.052 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 15' ' ' HIS . 54.6 t-80 -60.11 -38.66 83.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -56.86 -31.55 64.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.12 -34.04 29.09 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.133 -0.98 . . . . 0.0 109.135 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -85.87 117.15 24.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.085 -1.009 . . . . 0.0 108.97 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.53 -161.82 0.9 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -60.41 -39.83 88.77 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.479 -0.763 . . . . 0.0 109.703 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.299 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -137.26 130.93 31.61 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.347 -0.846 . . . . 0.0 109.019 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p -139.61 161.04 38.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.563 -0.711 . . . . 0.0 109.411 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' X' ' 5' ' ' ILE . 20.2 ttmt -113.42 140.77 47.8 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.691 -0.63 . . . . 0.0 109.431 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.49 ' CD1' HD11 ' X' ' 10' ' ' ILE . 1.1 pt -61.13 -134.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.469 ' H ' HD12 ' X' ' 5' ' ' ILE . 63.2 t0 -142.53 120.55 12.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.754 -1.216 . . . . 0.0 111.104 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -40.19 91.88 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.25 -41.42 93.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 110.821 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.29 -39.95 88.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.894 -1.128 . . . . 0.0 108.767 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' X' ' 5' ' ' ILE . 96.9 mt -69.96 -40.52 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.785 . . . . 0.0 110.834 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.15 -40.02 88.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.875 -1.141 . . . . 0.0 109.448 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.284 -179.749 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.881 0.372 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -136.08 131.3 34.66 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.218 -0.926 . . . . 0.0 109.05 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 47.0 p -139.76 160.71 39.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.555 -0.716 . . . . 0.0 109.641 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 20.6 ttmt -112.88 141.21 46.96 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.478 -0.764 . . . . 0.0 109.533 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.515 ' CD1' HD11 ' Y' ' 10' ' ' ILE . 1.0 OUTLIER -61.56 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.885 . . . . 0.0 108.718 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.487 ' H ' HD12 ' Y' ' 5' ' ' ILE . 63.1 t0 -142.77 120.94 12.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.745 -1.222 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -40.31 90.61 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.91 -41.64 92.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.956 -1.09 . . . . 0.0 108.897 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.515 HD11 ' CD1' ' Y' ' 5' ' ' ILE . 96.9 mt -70.29 -40.69 78.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.533 -0.729 . . . . 0.0 110.779 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.09 -39.27 85.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.899 -1.126 . . . . 0.0 109.374 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 43.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.468 -179.747 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.78 -39.89 91.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.14 -0.975 . . . . 0.0 108.838 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.84 -22.55 25.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.144 -0.973 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 49.0 tp10 -59.76 -52.69 64.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -74.29 -40.76 62.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.759 -1.213 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.35 97.35 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.078 -1.013 . . . . 0.0 110.288 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.1 ttm -60.3 -41.12 92.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.614 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.28 -40.15 82.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-O 122.012 0.911 . . . . 0.0 109.142 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.38 98.96 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.441 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.5 -40.05 95.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.38 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.894 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.69 -39.9 76.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.727 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG13 ' OE2' ' A' ' 39' ' ' GLU . 18.5 t -58.66 -36.02 58.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.99 -49.86 76.01 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.975 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -81.21 -24.13 37.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.054 -1.029 . . . . 0.0 111.533 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.96 -43.83 94.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.234 -0.916 . . . . 0.0 112.449 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 39.7 p90 -109.95 -30.07 7.97 Favored 'General case' 0 N--CA 1.514 2.734 0 O-C-N 120.802 -1.186 . . . . 0.0 110.879 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -59.75 -39.94 86.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.984 -1.072 . . . . 0.0 110.23 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.18 10.18 59.01 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 65.1 ttt180 -65.71 -42.09 91.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.754 -1.439 . . . . 0.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 20.4 pt-20 -161.6 165.17 28.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 109.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.9 -152.68 51.57 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.846 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.36 133.13 37.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.556 -0.967 . . . . 0.0 110.433 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.37 -39.92 77.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.83 -18.9 60.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.745 -0.597 . . . . 0.0 112.206 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -129.7 157.65 41.54 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.862 -1.149 . . . . 0.0 110.588 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.9 mt -117.51 138.96 51.54 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.929 -0.482 . . . . 0.0 109.811 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' GLU . 82.0 tttt -109.42 148.35 31.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ptmt -39.44 -38.53 0.57 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.495 -0.753 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.6 p -61.59 -42.68 99.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.091 -1.006 . . . . 0.0 109.643 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 81.5 mt-10 -69.57 -39.31 77.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.022 -1.049 . . . . 0.0 108.459 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.86 -40.01 93.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.84 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -54.36 -40.11 67.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ASN . 53.7 tp10 -69.84 -40.01 76.1 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 19.7 tp -59.76 -51.8 68.19 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.407 -0.808 . . . . 0.0 110.247 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.26 -40.32 86.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.371 -0.831 . . . . 0.0 109.371 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' O ' ' OG ' ' A' ' 41' ' ' SER . 20.7 t30 -79.1 -22.74 44.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.876 -1.14 . . . . 0.0 110.189 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t-20 -86.33 -27.31 24.38 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 110.44 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.568 ' OE2' HG13 ' A' ' 13' ' ' VAL . 98.9 mt-10 -108.9 -33.93 6.79 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.088 -1.007 . . . . 0.0 109.13 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD13 HD12 ' A' ' 44' ' ' LEU . 16.4 mt -114.66 51.4 0.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 7.2 m -59.65 -62.15 2.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.115 -0.991 . . . . 0.0 109.831 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -129.63 -5.64 4.66 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 54.0 t80 -60.45 -40.79 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 0.0 109.168 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 40' ' ' LEU . 78.9 mt -127.91 -98.83 0.37 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.469 -0.769 . . . . 0.0 109.343 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -93.6 141.54 28.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.39 -0.819 . . . . 0.0 109.412 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 87.9 tt0 -100.26 118.29 36.25 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 mm -90.92 109.64 21.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-O 122.169 0.985 . . . . 0.0 109.762 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -13.63 8.1 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 43.5 mt-10 -122.15 144.51 48.9 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.564 0.697 . . . . 0.0 110.379 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.69 -20.37 63.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.06 -42.7 95.1 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.993 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' VAL . 9.5 t -61.2 -49.97 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.46 -43.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.994 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -62.92 -46.78 86.2 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 118.73 -1.188 . . . . 0.0 108.607 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -70.09 -37.91 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.59 0.709 . . . . 0.0 109.515 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' VAL . 40.8 t -77.08 -30.4 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.9 tpt -70.25 -40.37 74.44 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.64 -28.23 68.41 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 m -67.61 -27.29 66.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.747 -0.596 . . . . 0.0 109.443 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.97 -45.29 4.2 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 52.2 t0 -82.73 59.41 4.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.35 0.64 1.37 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -87.77 -33.33 18.7 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.15 12.97 82.66 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.6 p-10 -82.88 7.33 15.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.93 38.35 92.79 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 76.2 tt0 -146.79 152.47 38.83 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.3 -1.118 . . . . 0.0 111.001 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 t -132.03 110.95 11.09 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.93 166.18 22.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.854 -1.154 . . . . 0.0 110.051 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 26.3 p90 -52.65 -41.35 63.71 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.48 -0.763 . . . . 0.0 109.158 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 66.3 tt0 -63.25 -41.21 99.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -70.34 -40.15 74.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.174 -0.954 . . . . 0.0 110.287 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -65.44 -38.79 90.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 108.699 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.91 -32.55 70.86 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.413 -0.804 . . . . 0.0 109.03 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.72 67.46 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.978 -1.076 . . . . 0.0 109.787 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.7 -42.61 84.05 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -44.41 95.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p -60.54 -44.79 95.71 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.4 ttp -61.27 -47.07 87.72 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.325 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 t -78.81 -28.63 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.845 -1.159 . . . . 0.0 109.472 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.0 m -64.85 -40.16 94.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.965 -1.084 . . . . 0.0 108.973 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 p -66.54 -39.42 88.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.677 -0.64 . . . . 0.0 110.079 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.51 90.14 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.692 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.64 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.043 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -63.18 -39.49 94.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.298 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.518 -0.739 . . . . 0.0 109.578 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -63.09 108.24 1.2 Allowed 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.574 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.76 122.95 40.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -64.06 98.86 0.23 Allowed 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.459 0.647 . . . . 0.0 109.366 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -60.79 -41.93 96.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.339 -0.851 . . . . 0.0 108.881 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 59.1 mp0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.107 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.18 -39.91 90.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.967 -1.083 . . . . 0.0 108.898 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.7 -22.3 22.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 48.7 tp10 -59.96 -52.92 63.33 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.832 -1.168 . . . . 0.0 110.221 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -74.09 -39.99 63.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.769 -1.207 . . . . 0.0 110.594 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.16 95.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.091 -1.005 . . . . 0.0 110.161 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.18 -40.95 91.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.595 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 4' ' ' GLU . 81.1 t -60.45 -40.04 82.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.009 0.909 . . . . 0.0 109.042 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.77 98.32 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.473 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.77 -40.39 95.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.0 110.401 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -40.19 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.071 -1.018 . . . . 0.0 108.808 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -70.08 -40.01 75.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.94 -1.1 . . . . 0.0 109.672 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.547 HG13 ' OE2' ' B' ' 39' ' ' GLU . 14.1 t -58.61 -36.2 58.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.65 -50.02 75.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 110.119 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -80.98 -23.87 38.43 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.985 -1.072 . . . . 0.0 111.3 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.94 -43.53 94.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 112.543 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.792 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 39.4 p90 -110.55 -29.94 7.84 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 120.921 -1.112 . . . . 0.0 110.846 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -59.86 -40.12 87.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.984 -1.072 . . . . 0.0 110.185 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.65 10.22 60.15 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.844 -1.169 . . . . 0.0 110.188 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.57 -41.67 92.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.856 -1.379 . . . . 0.0 109.627 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.474 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.8 pt-20 -161.57 164.44 29.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.263 -0.898 . . . . 0.0 109.476 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.83 -152.19 50.07 Favored Glycine 0 N--CA 1.492 2.375 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.957 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.79 132.58 36.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.907 . . . . 0.0 110.36 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.88 -39.92 79.52 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.996 0.903 . . . . 0.0 108.82 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -73.93 -19.4 60.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.878 -0.514 . . . . 0.0 112.102 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -129.34 157.73 41.1 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.925 -1.109 . . . . 0.0 110.621 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.93 139.24 50.88 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.713 -0.617 . . . . 0.0 109.72 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 29' ' ' LYS . 81.7 tttt -109.55 148.39 31.32 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.4 ptmt -39.81 -38.41 0.66 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.3 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.468 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 84.1 mt-10 -69.63 -39.22 77.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.074 -1.016 . . . . 0.0 108.553 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.0 -39.7 93.15 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.384 -0.822 . . . . 0.0 109.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -54.59 -40.05 68.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.032 . . . . 0.0 108.28 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 38' ' ' ASN . 53.6 tp10 -70.15 -39.74 75.16 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.792 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.2 tp -59.75 -51.75 68.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.306 -0.871 . . . . 0.0 110.078 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.08 -41.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.511 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' OG ' ' B' ' 41' ' ' SER . 18.5 t30 -78.62 -22.11 47.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.982 -1.074 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 34' ' ' GLU . 19.6 t-20 -86.38 -27.57 24.14 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.883 -1.136 . . . . 0.0 110.335 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.547 ' OE2' HG13 ' B' ' 13' ' ' VAL . 98.2 mt-10 -108.7 -34.21 6.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.936 -1.103 . . . . 0.0 109.458 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.447 HD13 HD12 ' B' ' 44' ' ' LEU . 16.6 mt -114.69 52.08 0.86 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 10.6 m -60.31 -62.3 1.97 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.079 -1.013 . . . . 0.0 109.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -129.55 -5.65 4.71 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.417 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 52.0 t80 -60.15 -41.17 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.503 HD13 ' HE1' ' Y' ' 7' ' ' TRP . 78.4 mt -128.0 -98.19 0.38 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.438 -0.789 . . . . 0.0 109.224 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -93.8 141.31 28.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.443 -0.786 . . . . 0.0 109.36 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 88.5 tt0 -100.58 117.87 35.58 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -90.41 109.33 20.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-O 122.151 0.977 . . . . 0.0 109.778 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 -13.23 8.28 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.22 144.21 49.11 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.667 0.746 . . . . 0.0 110.369 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.39 -20.51 63.81 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.43 -42.34 95.84 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.79 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' B' ' 56' ' ' VAL . 10.5 t -61.45 -50.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.9 t -60.22 -43.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.121 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -62.26 -47.37 84.64 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.517 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -70.05 -37.37 75.51 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.411 0.624 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' B' ' 52' ' ' VAL . 38.9 t -77.58 -30.52 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.49 ' N ' ' O ' ' B' ' 53' ' ' VAL . 2.8 tpt -69.93 -40.78 75.31 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.55 -27.89 68.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -27.31 66.54 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.519 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.98 -45.21 4.22 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 51.2 t0 -82.59 59.04 4.48 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.02 0.73 1.13 Allowed 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 61' ' ' ASP . 86.8 m-20 -88.27 -33.05 18.2 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.1 12.43 83.3 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 47.2 p-10 -81.98 6.9 14.61 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.53 37.83 90.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 76.6 tt0 -146.7 152.32 38.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -1.156 . . . . 0.0 111.239 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -131.33 111.72 12.12 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.61 165.2 23.16 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.94 -1.1 . . . . 0.0 109.992 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.1 p90 -51.62 -42.02 61.7 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 109.123 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 66.6 tt0 -62.9 -41.31 99.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.256 -0.903 . . . . 0.0 108.984 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.26 -40.04 74.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.965 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -65.49 -38.47 89.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.939 -1.101 . . . . 0.0 108.748 179.269 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.2 tpt -60.05 -32.68 71.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.447 -0.783 . . . . 0.0 108.983 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.53 -29.71 67.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.982 -1.074 . . . . 0.0 109.864 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.8 -42.21 83.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -44.92 96.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -60.29 -44.75 95.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 ttp -60.93 -46.98 88.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.555 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 t -78.83 -28.87 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.923 -1.111 . . . . 0.0 109.574 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.4 m -64.79 -39.95 94.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.068 -1.02 . . . . 0.0 108.978 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.4 p -66.92 -39.17 87.29 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.567 -0.708 . . . . 0.0 110.008 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.72 90.41 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.428 -0.795 . . . . 0.0 109.571 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.66 -44.49 96.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.028 -1.045 . . . . 0.0 109.083 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -61.61 -39.82 92.61 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.611 0.719 . . . . 0.0 109.279 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.93 -39.69 86.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.646 -0.659 . . . . 0.0 109.892 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.54 108.87 1.48 Allowed 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.914 -1.114 . . . . 0.0 108.585 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -97.03 122.63 40.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.429 -0.795 . . . . 0.0 109.323 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -63.89 98.86 0.22 Allowed 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.475 0.655 . . . . 0.0 109.433 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -61.11 -42.02 97.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.355 -0.84 . . . . 0.0 108.968 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.019 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -78.75 140.84 38.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.368 -0.833 . . . . 0.0 109.672 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 70.5 p -147.99 159.82 43.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.981 -1.074 . . . . 0.0 109.733 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -79.17 169.96 17.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.193 -0.942 . . . . 0.0 109.703 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.968 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.6 pp -59.38 -46.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.207 -0.933 . . . . 0.0 110.027 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.968 ' N ' HD12 ' X' ' 5' ' ' ILE . 1.4 m-20 165.95 38.07 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.639 ' HA ' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -60.61 -24.47 65.52 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.65 -0.656 . . . . 0.0 109.242 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.38 -40.47 86.64 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.245 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.32 -37.34 83.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.469 -0.769 . . . . 0.0 109.104 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' X' ' 7' ' ' TRP . 96.5 mt -59.97 -45.99 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.955 . . . . 0.0 110.103 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -40.07 88.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.772 -1.205 . . . . 0.0 108.669 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.944 -1.026 . . . . 0.0 109.344 179.43 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -77.63 141.79 39.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 73.8 p -148.77 159.94 43.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.078 -1.014 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' B' ' 44' ' ' LEU . 62.0 mttm -79.97 169.46 17.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.067 -1.021 . . . . 0.0 109.351 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.919 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.5 pp -58.6 -46.95 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 110.031 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.919 ' N ' HD12 ' Y' ' 5' ' ' ILE . 1.4 m-20 166.65 38.46 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.632 ' HA ' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -60.56 -24.34 65.34 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.675 -0.641 . . . . 0.0 109.5 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -59.25 -40.94 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.981 -1.074 . . . . 0.0 108.254 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.8 -37.67 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' Y' ' 7' ' ' TRP . 96.4 mt -59.55 -46.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -39.7 87.43 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.839 -1.163 . . . . 0.0 108.665 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.338 179.628 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.16 -39.92 86.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.6 -25.02 1.53 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.891 -1.13 . . . . 0.0 108.658 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.28 -49.72 76.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 109.638 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 19.4 pttt -69.98 -29.99 67.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 109.591 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -77.87 -39.97 41.6 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.445 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtp -60.0 -43.08 95.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.601 -1.312 . . . . 0.0 110.073 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 m -60.76 -39.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.945 -1.097 . . . . 0.0 108.447 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.34 93.4 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.588 -0.695 . . . . 0.0 109.795 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.94 -45.21 93.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.66 -40.0 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.269 -0.894 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.88 -40.01 72.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.02 -1.05 . . . . 0.0 110.16 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.04 -35.16 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.65 -50.03 74.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.182 -0.949 . . . . 0.0 110.297 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.11 -23.15 48.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.131 -0.981 . . . . 0.0 110.836 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.173 -0.955 . . . . 0.0 111.714 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 44.0 p90 -108.12 -31.4 7.94 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.839 -1.163 . . . . 0.0 110.964 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -61.82 -40.01 93.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.107 -0.995 . . . . 0.0 111.572 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.84 6.45 62.14 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.957 -1.089 . . . . 0.0 111.697 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -69.92 -40.09 75.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.391 -1.652 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 15.2 pt-20 -156.44 160.0 39.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.925 -1.109 . . . . 0.0 109.789 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.12 -167.48 39.28 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.46 136.43 34.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -1.17 . . . . 0.0 109.346 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -74.32 -10.75 59.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.278 -0.889 . . . . 0.0 109.449 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.99 -30.31 62.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.326 -0.859 . . . . 0.0 109.208 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -129.5 158.94 37.83 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.594 -0.691 . . . . 0.0 109.794 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD23 ' OE1' ' A' ' 31' ' ' GLU . 75.2 mt -120.41 127.92 52.72 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.783 -0.573 . . . . 0.0 109.841 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 29' ' ' LYS . 57.7 tttp -99.32 160.1 14.52 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' LYS . 81.5 mttt -39.96 -44.43 1.7 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.675 -0.64 . . . . 0.0 110.573 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -60.09 -42.46 94.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.029 . . . . 0.0 110.811 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' OE1' HD23 ' A' ' 27' ' ' LEU . 80.5 mt-10 -69.98 -39.99 75.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.703 -1.248 . . . . 0.0 109.271 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.32 -38.84 91.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.024 -1.048 . . . . 0.0 108.562 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -57.3 -39.98 76.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 51.6 tp10 -68.61 -40.06 80.58 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 18.0 tp -59.99 -50.49 73.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 109.993 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.527 -0.733 . . . . 0.0 109.893 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.94 -24.27 44.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.918 -1.114 . . . . 0.0 110.72 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 20.4 t-20 -86.51 -45.94 10.63 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.99 -42.76 18.92 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.894 -1.128 . . . . 0.0 108.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -108.92 67.26 0.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -74.25 -68.13 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.046 . . . . 0.0 109.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.77 -19.52 6.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.585 -0.697 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.07 -40.02 88.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 108.707 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD22 ' NE1' ' X' ' 7' ' ' TRP . 1.2 mt -130.02 -153.66 0.58 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -49.19 133.31 19.2 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.17 -0.956 . . . . 0.0 109.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -102.54 141.44 35.35 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 52' ' ' VAL . 42.4 mm -114.12 114.62 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.527 0.68 . . . . 0.0 110.246 -177.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -122.61 -11.59 8.23 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -122.91 152.03 41.2 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.0 pt20 -74.38 -21.48 59.64 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -43.81 94.93 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.8 t -60.41 -49.5 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 t -60.95 -41.49 89.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.502 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.2 t0 -68.8 -42.25 77.56 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.204 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.62 -39.19 77.33 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 52' ' ' VAL . 48.6 t -70.03 -35.89 66.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 42.3 mmm -70.99 -39.98 72.13 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.25 -30.5 69.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 50.6 m -67.19 -39.95 86.45 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.974 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -105.87 -53.38 2.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.226 -0.921 . . . . 0.0 108.902 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -81.18 56.45 2.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.79 2.09 2.82 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.6 m-20 -74.61 -35.69 62.96 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 11.28 84.48 Favored Glycine 0 N--CA 1.482 1.744 0 N-CA-C 106.587 -2.605 . . . . 0.0 106.587 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -75.56 0.95 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.17 30.89 77.7 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 107.902 -2.079 . . . . 0.0 107.902 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.74 149.64 35.91 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.477 -1.013 . . . . 0.0 111.462 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.78 119.04 21.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 36.8 t0 -80.46 170.0 16.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.481 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 19.2 p90 -57.93 -39.39 77.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.134 -0.978 . . . . 0.0 108.413 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.1 tp-100 -60.04 -40.01 87.88 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.123 -0.985 . . . . 0.0 108.441 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.25 -39.39 92.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.005 -1.059 . . . . 0.0 108.99 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 109.078 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' B' ' 81' ' ' THR . 7.0 mmt -59.66 -38.81 82.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.28 -0.888 . . . . 0.0 109.446 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.1 68.44 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.933 -1.104 . . . . 0.0 110.435 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.0 t80 -59.94 -43.46 94.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.787 -1.196 . . . . 0.0 108.727 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -59.97 -42.02 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.39 -40.12 89.74 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.304 0.574 . . . . 0.0 109.553 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.469 ' HB3' HG23 ' X' ' 10' ' ' ILE . 30.4 mtm -64.52 -45.61 86.45 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.55 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 76' ' ' PHE . 1.1 t -80.16 -30.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.6 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' B' ' 74' ' ' MET . 94.9 m -69.7 -38.42 76.95 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.474 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -75.26 -41.33 57.61 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.925 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.1 96.95 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.077 -1.014 . . . . 0.0 109.923 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 26.7 m -67.45 -40.48 85.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.162 -0.962 . . . . 0.0 109.242 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -62.57 -40.05 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.406 -0.809 . . . . 0.0 110.658 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 88' ' ' PHE . 76.6 mm-40 -66.0 -25.6 67.15 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.382 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -47.23 -13.51 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.737 -1.227 . . . . 0.0 110.086 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 86' ' ' GLU . 52.3 t80 -101.01 129.4 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 108.881 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.14 64.39 1.86 Allowed 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.606 0.717 . . . . 0.0 109.733 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.0 -40.3 88.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.639 -0.663 . . . . 0.0 109.325 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.274 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.66 -39.64 84.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 110.605 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.88 -24.86 1.61 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 108.582 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.12 -49.99 75.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.468 -0.77 . . . . 0.0 109.674 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 19.5 pttt -69.99 -30.02 67.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -77.81 -39.97 42.0 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 110.423 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtp -59.99 -43.16 95.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.65 -1.281 . . . . 0.0 109.999 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 m -60.73 -39.99 83.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.011 -1.056 . . . . 0.0 108.458 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.8 -43.26 93.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.671 -0.643 . . . . 0.0 109.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.07 -45.11 93.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.067 -1.021 . . . . 0.0 108.952 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -40.04 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.391 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.96 -39.99 72.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.033 -1.042 . . . . 0.0 110.106 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 9' ' ' ALA . 49.2 t -59.99 -35.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.59 -49.95 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.198 -0.938 . . . . 0.0 110.382 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.17 -23.16 47.77 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.158 -0.964 . . . . 0.0 110.805 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 111.754 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 44.2 p90 -108.17 -31.45 7.9 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 120.884 -1.135 . . . . 0.0 110.911 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.9 t -61.81 -39.98 93.68 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.112 -0.993 . . . . 0.0 111.637 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 6.58 61.9 Favored Glycine 0 N--CA 1.495 2.621 0 C-N-CA 120.059 -1.067 . . . . 0.0 111.686 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -70.02 -40.03 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.535 -1.568 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 15.3 pt-20 -156.53 160.02 39.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.777 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.02 -167.49 38.89 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.4 136.4 34.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -1.164 . . . . 0.0 109.323 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -74.33 -10.8 59.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.43 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.8 -30.41 62.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.343 -0.848 . . . . 0.0 109.215 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -129.57 158.83 38.19 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.591 -0.693 . . . . 0.0 109.825 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.502 HD23 ' OE1' ' B' ' 31' ' ' GLU . 73.0 mt -120.35 127.96 52.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.815 -0.553 . . . . 0.0 109.832 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 29' ' ' LYS . 57.2 tttp -99.3 159.98 14.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 82.2 mttt -39.79 -44.51 1.61 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.644 -0.66 . . . . 0.0 110.554 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 66.4 m -60.04 -42.58 94.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.815 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.502 ' OE1' HD23 ' B' ' 27' ' ' LEU . 80.4 mt-10 -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.742 -1.224 . . . . 0.0 109.24 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.28 -38.87 91.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.014 -1.054 . . . . 0.0 108.6 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -57.19 -39.91 76.33 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 38' ' ' ASN . 51.6 tp10 -68.79 -40.05 79.85 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.685 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.4 tp -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.267 -0.895 . . . . 0.0 110.047 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.95 -40.04 78.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.501 -0.749 . . . . 0.0 109.838 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.97 -24.3 43.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.993 -1.067 . . . . 0.0 110.695 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' B' ' 34' ' ' GLU . 20.4 t-20 -86.44 -45.91 10.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.906 -1.121 . . . . 0.0 110.236 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -82.07 -42.42 19.23 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.848 -1.158 . . . . 0.0 108.985 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.3 67.39 0.65 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -74.25 -68.33 0.54 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.054 -1.029 . . . . 0.0 109.676 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.7 -19.55 6.78 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 109.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 108.715 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.43 HD22 ' NE1' ' Y' ' 7' ' ' TRP . 1.2 mt -129.97 -153.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -49.22 133.51 19.11 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.152 -0.968 . . . . 0.0 109.975 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.68 141.47 35.44 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.431 ' CD1' HG11 ' B' ' 52' ' ' VAL . 42.6 mm -114.19 114.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 CA-C-O 121.59 0.71 . . . . 0.0 110.264 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.59 -11.68 8.23 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -122.78 152.16 40.92 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.514 0.673 . . . . 0.0 110.839 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' B' ' 54' ' ' ASP . 13.9 pt20 -74.68 -21.45 59.39 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.7 pt-20 -60.05 -43.76 95.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.635 -0.665 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 47' ' ' ILE . 26.1 t -60.36 -49.5 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.2 t0 -68.75 -42.17 77.9 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.229 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -69.71 -39.15 77.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.0 t -70.04 -35.86 65.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 42.3 mmm -70.95 -40.02 72.24 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.31 -30.49 69.53 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.1 m -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.96 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.9 -53.35 2.66 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.264 -0.897 . . . . 0.0 108.93 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -81.25 56.41 2.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -68.82 2.12 2.82 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.6 m-20 -74.55 -35.87 63.11 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.3 11.34 84.38 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 106.599 -2.601 . . . . 0.0 106.599 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -75.68 1.06 15.57 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.01 31.04 78.25 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -144.78 149.79 36.09 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.488 -1.007 . . . . 0.0 111.378 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 118.9 21.47 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.512 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 36.7 t0 -80.27 169.96 17.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.032 -1.043 . . . . 0.0 109.514 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 19.2 p90 -58.0 -39.25 77.78 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 6.1 tp-100 -60.0 -40.01 87.77 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.151 -0.968 . . . . 0.0 108.504 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.32 -39.31 92.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.06 -1.025 . . . . 0.0 108.939 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.07 -36.89 78.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.449 -0.782 . . . . 0.0 109.08 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' A' ' 81' ' ' THR . 6.9 mmt -59.62 -38.68 81.99 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.468 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.81 -28.85 67.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.913 -1.117 . . . . 0.0 110.466 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.431 ' O ' HG23 ' B' ' 80' ' ' VAL . 47.2 t80 -60.01 -43.49 95.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.735 -1.228 . . . . 0.0 108.609 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -60.03 -42.0 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -60.16 -39.99 88.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.296 0.569 . . . . 0.0 109.635 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.411 ' HB3' HG23 ' Y' ' 10' ' ' ILE . 29.9 mtm -64.83 -45.56 85.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.461 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 76' ' ' PHE . 1.1 t -80.23 -29.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 C-N-CA 118.859 -1.137 . . . . 0.0 109.587 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' A' ' 74' ' ' MET . 98.1 m -69.7 -38.44 76.95 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.385 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 p -75.21 -41.35 57.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.016 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.88 96.81 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.0 -1.062 . . . . 0.0 109.882 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 22.8 m -67.53 -40.43 85.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.265 -0.897 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.67 -39.99 95.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.453 -0.779 . . . . 0.0 110.664 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 88' ' ' PHE . 76.5 mm-40 -66.07 -25.59 67.1 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.226 -0.921 . . . . 0.0 111.381 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -47.12 -13.6 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.799 -1.188 . . . . 0.0 110.038 -179.216 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 86' ' ' GLU . 52.2 t80 -101.15 129.27 47.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 108.907 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 51.47 64.21 1.93 Allowed 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.688 0.756 . . . . 0.0 109.806 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.95 -40.61 89.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.585 -0.697 . . . . 0.0 109.319 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.277 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -39.98 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.127 -0.983 . . . . 0.0 108.85 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 49.6 p -68.89 -38.22 79.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.261 -0.899 . . . . 0.0 108.862 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -72.2 154.0 41.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.455 -0.778 . . . . 0.0 109.092 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.475 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.7 pp -80.68 -165.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.249 -0.907 . . . . 0.0 109.202 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.97 43.54 0.07 Allowed 'General case' 0 C--N 1.284 -2.27 0 CA-C-O 122.002 0.906 . . . . 0.0 109.468 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.475 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -60.0 -24.63 64.62 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.57 -38.15 80.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.602 -1.312 . . . . 0.0 107.948 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.02 -36.23 76.79 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 79' ' ' MET . 81.9 mt -59.98 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.852 . . . . 0.0 110.056 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 10.0 mp -59.43 -39.71 84.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.845 -1.16 . . . . 0.0 108.6 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.431 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.955 . . . . 0.0 108.884 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 47.5 p -68.84 -38.35 79.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 108.838 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.95 153.64 41.69 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.038 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.467 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.7 pp -80.59 -166.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.276 -0.89 . . . . 0.0 109.147 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.69 43.71 0.07 Allowed 'General case' 0 C--N 1.283 -2.293 0 CA-C-O 122.051 0.929 . . . . 0.0 109.542 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.06 -24.61 64.71 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -59.59 -38.23 80.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.565 -1.335 . . . . 0.0 107.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.01 -36.13 76.54 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' B' ' 79' ' ' MET . 81.0 mt -60.07 -39.91 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.023 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.77 -38.99 83.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.845 -1.159 . . . . 0.0 108.761 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.562 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.221 0.534 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.26 -40.02 78.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.121 -0.987 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.98 -21.9 61.83 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.014 -1.054 . . . . 0.0 110.333 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -59.92 -45.9 91.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.862 -1.149 . . . . 0.0 109.792 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 8.4 ptmt -70.09 -31.64 69.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.855 -1.153 . . . . 0.0 109.544 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -73.86 -39.05 64.24 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.216 -0.927 . . . . 0.0 110.442 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.4 tpp -59.98 -46.25 90.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 110.131 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.96 -40.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.592 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.32 95.3 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.733 -0.604 . . . . 0.0 109.811 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.54 -40.71 93.21 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 109.067 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.35 -43.09 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.185 -0.947 . . . . 0.0 109.023 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -71.02 -40.02 72.0 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 109.586 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.98 -32.66 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.06 -46.3 89.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -71.73 -31.59 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 111.809 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.99 -42.71 94.82 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.761 -1.212 . . . . 0.0 111.688 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -97.48 -30.9 12.63 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.785 -1.197 . . . . 0.0 110.331 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.5 t -60.57 -40.0 90.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.84 14.81 57.68 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -60.06 -40.16 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.236 . . . . 0.0 109.308 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -167.63 97.28 0.47 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.4 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.38 -160.55 0.59 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.0 m-20 50.1 40.57 21.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.168 -1.196 . . . . 0.0 109.417 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -38.1 89.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.868 . . . . 0.0 109.821 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.71 -39.79 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.577 -0.702 . . . . 0.0 111.125 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' ASP . 57.7 mttm -128.99 162.25 28.03 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.101 -0.999 . . . . 0.0 110.568 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.7 mt -104.98 124.07 48.87 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.442 -0.786 . . . . 0.0 110.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -84.92 157.31 20.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -50.82 -39.94 54.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.004 -1.06 . . . . 0.0 109.552 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -42.43 94.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.21 -40.0 82.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.408 -0.808 . . . . 0.0 109.111 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.97 -39.12 88.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 108.882 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.14 -39.94 82.57 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.821 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 73' ' ' PHE . 21.3 tp -60.02 -50.24 74.51 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.557 -0.715 . . . . 0.0 110.483 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 HD11 ' A' ' 47' ' ' ILE . 63.8 mt -70.51 -39.99 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.027 -1.045 . . . . 0.0 110.322 -178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -80.5 -24.0 39.73 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.864 -1.147 . . . . 0.0 111.553 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -89.52 -26.16 21.02 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.827 -1.171 . . . . 0.0 111.242 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -97.21 -27.82 14.36 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.796 -1.19 . . . . 0.0 108.51 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' GLU . 33.3 mt -117.53 71.41 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -52.74 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.93 -1.106 . . . . 0.0 109.706 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.87 11.59 6.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.476 -0.765 . . . . 0.0 109.428 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.66 -8.09 53.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.274 -0.891 . . . . 0.0 109.983 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.28 -67.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 109.373 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 40' ' ' LEU . 92.0 mt-10 -120.72 138.54 53.92 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.638 -0.664 . . . . 0.0 110.911 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 47' ' ' ILE . 87.8 tt0 -118.98 122.63 42.65 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -109.76 120.2 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 122.211 1.005 . . . . 0.0 109.917 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -135.71 -9.99 2.11 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.29 147.05 48.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.62 -0.675 . . . . 0.0 110.427 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.5 pt20 -73.75 -18.82 60.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.694 -0.629 . . . . 0.0 110.342 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 37.8 t -65.57 -49.85 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -60.27 -40.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.417 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 56.6 t0 -68.18 -43.51 77.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.439 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.94 -36.72 75.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.907 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.6 t -69.68 -34.98 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.4 mmt -60.96 -40.0 91.68 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.52 -29.88 69.39 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.5 m -71.74 -40.02 69.67 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 76' ' ' PHE . 6.7 mp -101.38 -56.71 2.24 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.299 -0.876 . . . . 0.0 108.688 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.7 t0 -78.71 55.26 1.65 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.43 2.67 2.18 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' ASP . 75.6 m-20 -84.21 -31.66 24.94 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 10.06 78.71 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 51.1 p30 -84.47 2.0 42.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.22 33.2 84.45 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -141.82 152.74 43.96 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.391 -1.064 . . . . 0.0 111.12 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 119.56 24.74 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' HZ2' ' A' ' 26' ' ' LYS . 75.3 m-20 -79.01 169.82 17.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.396 -0.815 . . . . 0.0 109.379 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -58.15 -40.0 80.24 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.3 tt0 -60.81 -40.11 91.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 44.0 mt-10 -64.69 -39.97 94.59 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.456 -0.778 . . . . 0.0 109.369 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 35' ' ' LEU . 2.5 t80 -59.94 -39.94 87.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.4 -0.813 . . . . 0.0 109.614 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.9 mmm -60.02 -37.02 78.52 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.66 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.71 76.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.026 -1.047 . . . . 0.0 110.674 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 60' ' ' LEU . 66.2 t80 -59.96 -40.03 87.64 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 109.313 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.89 -44.27 97.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 108.873 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -60.07 -40.62 90.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.496 -0.752 . . . . 0.0 109.679 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.3 ttp -65.36 -43.56 90.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.35 -0.844 . . . . 0.0 110.195 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.1 t -80.39 -29.61 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.041 -1.037 . . . . 0.0 109.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.99 -40.05 94.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.197 -0.94 . . . . 0.0 108.857 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 p -71.52 -42.66 67.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.644 -0.66 . . . . 0.0 110.859 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.08 67.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.822 -1.173 . . . . 0.0 109.838 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 -49.64 76.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.34 -45.79 92.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.17 -40.2 89.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.0 108.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -41.3 94.95 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.637 -0.664 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -42.33 94.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.194 -0.941 . . . . 0.0 109.943 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -97.93 73.17 2.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -64.48 -44.46 90.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.117 -0.99 . . . . 0.0 110.14 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.203 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.75 -39.95 76.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.201 -0.937 . . . . 0.0 109.582 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.16 -21.83 62.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 0.0 110.31 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.9 -46.07 90.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.923 -1.11 . . . . 0.0 109.741 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.2 ptmt -70.0 -31.63 69.41 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.969 -1.082 . . . . 0.0 109.537 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -73.84 -39.32 64.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 110.403 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.1 tpp -60.03 -46.02 90.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.068 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -60.01 -39.94 81.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 108.604 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.33 95.14 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.689 -0.632 . . . . 0.0 109.8 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.58 -40.56 92.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.085 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.68 -42.65 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 109.031 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -71.25 -40.02 71.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.531 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.0 -32.77 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.583 -0.698 . . . . 0.0 109.391 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -71.47 -31.82 67.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 111.846 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.96 -42.55 94.35 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.765 -1.209 . . . . 0.0 111.732 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -97.62 -30.72 12.68 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.791 -1.193 . . . . 0.0 110.286 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -60.75 -39.97 90.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.87 14.72 57.94 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -59.95 -40.14 87.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.058 -1.26 . . . . 0.0 109.263 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.61 97.5 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.448 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 -160.95 0.48 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 50.54 40.49 23.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -1.169 . . . . 0.0 109.351 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.85 -37.96 89.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.77 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.79 -39.82 72.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.633 -0.667 . . . . 0.0 111.239 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 69' ' ' ASP . 58.1 mttm -128.89 162.03 28.47 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.111 -0.993 . . . . 0.0 110.473 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.87 124.21 49.07 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.45 -0.781 . . . . 0.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -85.02 156.9 20.91 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.115 -0.991 . . . . 0.0 108.44 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.61 -40.01 51.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.937 -1.102 . . . . 0.0 109.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 43.7 t -60.05 -41.85 93.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.84 -1.163 . . . . 0.0 109.135 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.58 -39.98 80.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.374 -0.829 . . . . 0.0 109.047 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.2 -38.97 88.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.177 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -56.12 -39.92 72.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 108.98 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.05 -40.03 82.91 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.321 -0.952 . . . . 0.0 108.832 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' B' ' 73' ' ' PHE . 20.9 tp -60.0 -49.91 75.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.537 -0.727 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.526 HG22 HD11 ' B' ' 47' ' ' ILE . 61.0 mt -70.85 -40.0 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.057 -1.027 . . . . 0.0 110.339 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.38 -23.99 40.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.81 -1.181 . . . . 0.0 111.428 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -89.63 -25.95 21.01 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.813 -1.179 . . . . 0.0 111.304 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -97.4 -27.99 14.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.774 -1.204 . . . . 0.0 108.446 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 45' ' ' GLU . 33.3 mt -117.21 71.37 0.8 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -52.84 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.142 . . . . 0.0 109.763 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -128.69 11.05 6.15 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.507 -0.745 . . . . 0.0 109.461 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.02 -8.28 54.35 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.902 . . . . 0.0 110.062 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.13 -67.88 0.2 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.046 -1.034 . . . . 0.0 109.298 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 90.2 mt-10 -120.66 138.77 53.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.657 -0.652 . . . . 0.0 110.95 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.541 ' C ' HD13 ' B' ' 47' ' ' ILE . 88.2 tt0 -119.29 122.73 42.56 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.541 HD13 ' C ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -109.95 120.07 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 122.25 1.024 . . . . 0.0 109.762 -178.046 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -135.5 -10.23 2.16 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.21 147.31 48.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.618 -0.676 . . . . 0.0 110.417 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -74.02 -18.79 60.8 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.708 -0.62 . . . . 0.0 110.213 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.412 ' O ' HG23 ' B' ' 56' ' ' VAL . 38.9 t -65.52 -49.98 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.28 -40.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.374 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -68.04 -43.4 78.82 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.03 -36.91 75.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.327 -0.858 . . . . 0.0 108.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 52' ' ' VAL . 45.4 t -69.45 -34.97 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.5 mmt -61.0 -39.96 91.7 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -60.69 -29.48 69.35 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.1 m -72.02 -40.0 68.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 6.7 mp -101.32 -56.82 2.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.281 -0.887 . . . . 0.0 108.64 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 25.5 t0 -78.42 55.2 1.55 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.42 2.51 2.29 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' B' ' 61' ' ' ASP . 75.4 m-20 -83.84 -31.75 25.63 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.27 78.09 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.744 -2.142 . . . . 0.0 107.744 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.5 p30 -84.8 2.09 43.83 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.04 33.24 84.89 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -141.56 153.01 44.57 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.399 -1.059 . . . . 0.0 111.01 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.07 119.26 23.89 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 75.9 m-20 -78.84 169.92 17.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.438 -0.789 . . . . 0.0 109.383 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 25.4 p90 -58.57 -39.97 81.77 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.4 tt0 -60.72 -40.01 90.75 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 43.3 mt-10 -64.64 -39.99 94.67 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 109.492 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.436 ' CE1' HD21 ' B' ' 35' ' ' LEU . 2.4 t80 -59.95 -39.87 87.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.384 -0.822 . . . . 0.0 109.6 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.5 mmm -60.04 -37.49 79.97 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.18 -33.87 77.03 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.996 -1.065 . . . . 0.0 110.756 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.897 -1.127 . . . . 0.0 109.246 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.86 -44.32 97.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.362 -0.836 . . . . 0.0 108.848 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 81.9 p -60.02 -41.2 91.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.502 -0.749 . . . . 0.0 109.756 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.2 ttp -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.296 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' B' ' 76' ' ' PHE . 16.8 t -80.66 -29.27 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.032 -1.043 . . . . 0.0 109.265 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -65.05 -39.97 94.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.222 -0.924 . . . . 0.0 108.822 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.9 p -71.59 -42.88 67.2 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.887 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.1 67.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.841 -1.162 . . . . 0.0 109.857 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.71 -49.46 76.36 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.215 -0.928 . . . . 0.0 109.146 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.26 -45.88 91.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 0.0 109.627 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.14 -40.15 88.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 108.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.66 -41.37 94.86 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.691 -0.631 . . . . 0.0 109.814 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.18 -0.95 . . . . 0.0 110.037 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -98.13 73.28 2.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.258 -0.901 . . . . 0.0 109.254 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -64.53 -44.25 91.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.494 ' OE2' ' N ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.141 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.289 0.566 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -60.07 -39.97 87.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 109.694 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.453 ' O ' ' O ' ' X' ' 4' ' ' LYS . 67.5 p 44.35 -161.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.362 -0.836 . . . . 0.0 110.275 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' X' ' 3' ' ' THR . 67.9 mttm 50.56 176.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.528 -0.733 . . . . 0.0 109.756 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.856 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.8 pp -60.8 -50.0 82.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.181 -0.949 . . . . 0.0 108.78 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.856 ' N ' HD12 ' X' ' 5' ' ' ILE . 1.2 m-20 162.07 79.62 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.657 -0.652 . . . . 0.0 109.745 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -60.21 -40.41 90.03 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.421 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.99 -41.08 91.26 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.603 -0.686 . . . . 0.0 112.164 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.98 -49.62 76.95 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.706 -1.247 . . . . 0.0 110.158 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.92 -40.18 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.907 -1.121 . . . . 0.0 109.964 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -60.82 -40.08 91.4 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.221 -0.924 . . . . 0.0 109.356 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.562 -179.878 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.269 0.557 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.1 -39.97 88.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.268 -0.895 . . . . 0.0 109.75 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.446 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 67.5 p 44.54 -161.74 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.289 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' Y' ' 3' ' ' THR . 66.6 mttm 50.81 176.73 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.867 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.8 pp -60.83 -49.94 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.146 -0.971 . . . . 0.0 108.79 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.867 ' N ' HD12 ' Y' ' 5' ' ' ILE . 1.2 m-20 162.08 79.81 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.617 -0.677 . . . . 0.0 109.799 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.487 ' CZ2' ' CD ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -60.5 -40.26 90.73 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.95 -41.12 91.18 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.495 -0.753 . . . . 0.0 112.208 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -59.99 -49.49 77.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 110.195 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.73 -40.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.956 -1.09 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.96 -40.02 87.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.728 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.551 -179.692 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 1' ' ' SER . 12.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.05 -39.95 75.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.159 -0.963 . . . . 0.0 110.495 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.0 -23.66 66.61 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.808 -1.182 . . . . 0.0 110.357 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.5 tt0 -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.926 -1.109 . . . . 0.0 110.146 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -36.12 63.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.888 -1.133 . . . . 0.0 109.319 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.33 93.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.3 ttm -60.03 -40.23 88.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.239 -0.913 . . . . 0.0 109.825 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.98 -40.21 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.98 -47.52 85.46 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.528 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.21 -42.15 94.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.972 -1.08 . . . . 0.0 109.424 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.48 -44.0 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.95 -1.094 . . . . 0.0 109.49 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -70.02 -40.03 75.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.792 -1.192 . . . . 0.0 109.747 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ALA . 50.1 t -58.98 -32.79 48.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.02 -49.74 76.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.013 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.16 -35.23 73.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.768 -0.582 . . . . 0.0 112.371 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -59.96 -47.94 83.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.669 -1.27 . . . . 0.0 111.946 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -92.22 -35.97 13.52 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.683 -1.261 . . . . 0.0 110.711 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.0 p -63.58 -40.06 96.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.847 -1.158 . . . . 0.0 110.12 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.44 -2.6 82.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.38 -40.07 89.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.952 -1.322 . . . . 0.0 109.559 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.6 tt0 -152.23 149.3 28.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.203 -0.936 . . . . 0.0 109.194 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.0 -159.48 53.37 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.56 141.6 34.93 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.4 -1.059 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -79.99 -10.74 59.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.366 -0.833 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -73.51 -36.78 65.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.079 -1.013 . . . . 0.0 110.558 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.64 157.91 40.79 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.198 -0.939 . . . . 0.0 109.824 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.18 138.06 37.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.378 -0.826 . . . . 0.0 109.327 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 34.9 ttpt -107.55 151.44 25.59 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 13.4 ptpt -39.85 -44.45 1.63 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.46 -0.775 . . . . 0.0 110.567 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -61.76 -40.37 94.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.969 -1.082 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 63.8 mt-10 -70.03 -40.01 75.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.649 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.35 -40.06 95.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 109.081 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -55.14 -39.98 70.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.059 -1.026 . . . . 0.0 108.69 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -68.18 -39.98 82.39 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.4 -0.813 . . . . 0.0 108.835 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.02 -49.97 75.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.73 -0.607 . . . . 0.0 110.206 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.83 -39.96 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.206 -0.934 . . . . 0.0 110.415 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -80.91 -25.53 37.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.943 -1.098 . . . . 0.0 111.434 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -89.47 -29.23 19.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.47 -1.394 . . . . 0.0 111.417 -178.21 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' HD23 ' A' ' 40' ' ' LEU . 76.0 mm-40 -101.23 -16.34 17.02 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.896 -1.128 . . . . 0.0 111.326 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.745 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -161.98 64.35 0.24 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.555 -1.341 . . . . 0.0 110.596 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.82 -68.94 0.62 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.03 -1.044 . . . . 0.0 109.984 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p-80 -91.32 -9.42 45.02 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.17 -0.956 . . . . 0.0 109.868 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.1 m-85 -69.22 -39.88 78.3 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.135 -0.978 . . . . 0.0 108.428 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -129.04 -98.88 0.35 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -99.1 133.12 43.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.496 -0.752 . . . . 0.0 109.475 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.64 121.5 34.13 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.479 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.7 mm -96.71 113.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 122.096 0.95 . . . . 0.0 110.007 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.599 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -130.08 -8.84 4.34 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -122.15 152.06 40.3 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.379 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -75.7 -21.07 57.91 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 9.8 pt-20 -60.08 -42.85 95.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.488 -0.757 . . . . 0.0 110.045 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 47' ' ' ILE . 19.1 t -62.51 -49.99 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.72 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.565 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.75 -42.69 81.38 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 118.394 -1.322 . . . . 0.0 109.04 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -70.58 -40.0 73.55 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.98 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.9 -35.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 CA-C-O 121.432 0.634 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.8 tpt -72.01 -43.75 64.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.1 -31.0 69.63 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.9 m -65.01 -33.68 76.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.807 -0.558 . . . . 0.0 110.407 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.546 HD21 ' SD ' ' A' ' 79' ' ' MET . 4.0 mm? -103.85 -36.61 7.75 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 65.9 t0 -81.94 54.06 2.36 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.19 -3.79 4.31 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.7 m-20 -75.59 -35.96 60.43 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.96 82.31 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -82.49 1.17 39.03 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 70.04 28.96 71.02 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.56 -1.816 . . . . 0.0 108.56 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.3 mt-10 -145.39 158.59 43.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.307 -1.113 . . . . 0.0 110.273 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 119.98 23.21 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.03 170.02 17.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -0.765 . . . . 0.0 109.983 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.6 p90 -55.88 -40.66 73.28 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 63.5 tt0 -60.02 -42.87 95.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 108.558 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 60' ' ' LEU . 48.2 mt-10 -66.42 -40.06 89.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.449 -0.782 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 2.1 t80 -59.98 -37.29 79.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.83 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 mmt -60.01 -39.41 85.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.193 -0.942 . . . . 0.0 109.512 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.08 69.14 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.991 -1.068 . . . . 0.0 110.19 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.92 -1.113 . . . . 0.0 108.674 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -65.49 -41.12 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.8 m -59.93 -45.61 92.05 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.405 0.622 . . . . 0.0 109.658 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.546 ' SD ' HD21 ' A' ' 60' ' ' LEU . 45.3 mtp -61.15 -46.23 91.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.235 -0.916 . . . . 0.0 110.315 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -81.37 -30.47 11.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.463 -0.773 . . . . 0.0 109.919 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' VAL . 86.8 m -70.06 -39.94 75.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.19 -0.944 . . . . 0.0 108.597 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.6 m -70.5 -39.99 73.82 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.974 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.03 86.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.858 -1.152 . . . . 0.0 109.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.8 t -63.29 -41.9 99.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.294 -0.879 . . . . 0.0 109.591 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.92 -44.76 94.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.283 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -40.0 96.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.99 -40.08 87.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.157 -0.964 . . . . 0.0 109.587 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.99 122.97 14.3 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.371 1.081 . . . . 0.0 108.94 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -148.06 -163.04 1.68 Allowed 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.98 -40.06 87.8 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.206 -0.933 . . . . 0.0 109.649 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.382 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' B' ' 1' ' ' SER . 10.7 t . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.04 -40.02 75.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.002 . . . . 0.0 110.433 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.232 . . . . 0.0 110.339 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.462 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.02 -50.52 73.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.853 -1.154 . . . . 0.0 110.011 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -36.29 65.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.922 -1.111 . . . . 0.0 109.437 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.91 93.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.04 -1.037 . . . . 0.0 109.4 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.0 ttm -60.01 -40.31 88.79 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.442 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.02 -47.14 87.09 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.604 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.99 -41.74 97.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.409 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -44.07 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 0.0 109.404 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.03 -39.96 75.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.775 -1.203 . . . . 0.0 109.729 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 9' ' ' ALA . 48.4 t -59.02 -32.69 48.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.01 -49.93 75.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.373 -0.829 . . . . 0.0 108.929 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.03 -35.21 74.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.0 -47.94 83.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.0 112.017 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -92.26 -35.92 13.52 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.702 -1.249 . . . . 0.0 110.699 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 76.2 p -63.55 -40.0 95.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.924 -1.11 . . . . 0.0 110.159 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.81 -2.43 81.49 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -66.33 -39.99 89.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.965 -1.315 . . . . 0.0 109.508 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.0 tt0 -152.13 149.45 28.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.207 -0.933 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.84 -159.55 53.27 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.4 141.59 35.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -1.032 . . . . 0.0 110.221 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -80.1 -10.67 59.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.315 -0.866 . . . . 0.0 110.317 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -73.44 -37.1 65.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.084 -1.01 . . . . 0.0 110.528 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.63 157.82 41.03 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.02 138.01 37.68 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 109.374 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' B' ' 29' ' ' LYS . 35.0 ttpt -107.28 151.6 25.25 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 28' ' ' LYS . 13.4 ptpt -39.92 -44.12 1.63 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.465 -0.772 . . . . 0.0 110.512 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -62.01 -40.53 95.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.986 -1.071 . . . . 0.0 110.124 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 62.8 mt-10 -70.01 -40.03 75.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.118 -0.989 . . . . 0.0 108.686 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.31 -39.97 94.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.368 -0.832 . . . . 0.0 109.118 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -55.01 -40.03 69.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.014 -1.054 . . . . 0.0 108.622 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -68.27 -40.0 81.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.97 -49.99 75.52 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -68.69 -39.98 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.001 . . . . 0.0 110.391 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -80.88 -25.45 37.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.943 -1.098 . . . . 0.0 111.431 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -89.43 -29.68 18.86 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.436 -1.415 . . . . 0.0 111.318 -178.205 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.435 ' C ' HD23 ' B' ' 40' ' ' LEU . 76.4 mm-40 -101.01 -15.84 17.33 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.919 -1.113 . . . . 0.0 111.345 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.743 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -162.38 64.02 0.22 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.45 -1.406 . . . . 0.0 110.711 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.65 -69.04 0.61 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.015 -1.053 . . . . 0.0 110.049 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.4 p-80 -91.0 -9.66 45.14 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.168 -0.957 . . . . 0.0 109.868 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 86.6 m-85 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 108.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.516 ' O ' ' NZ ' ' Y' ' 4' ' ' LYS . 16.8 mt -129.35 -99.15 0.34 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -98.84 133.31 43.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.401 -0.812 . . . . 0.0 109.477 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.73 121.6 34.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.2 mm -96.74 113.5 31.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-O 122.104 0.954 . . . . 0.0 109.955 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.614 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -130.1 -8.57 4.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.349 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -122.43 151.92 40.77 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.644 0.735 . . . . 0.0 110.321 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -75.6 -20.97 58.21 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 9.7 pt-20 -60.19 -42.92 96.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.546 -0.721 . . . . 0.0 110.121 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' B' ' 47' ' ' ILE . 19.3 t -62.47 -49.83 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.5 t -60.83 -40.58 85.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.597 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.95 -42.53 80.8 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.366 -1.334 . . . . 0.0 108.959 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -70.66 -39.99 73.26 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.96 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -74.87 -35.33 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 121.46 0.647 . . . . 0.0 109.318 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.483 ' O ' ' N ' ' B' ' 61' ' ' ASP . 5.8 tpt -71.99 -43.74 64.61 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -31.09 69.6 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' B' ' 60' ' ' LEU . 26.6 m -65.01 -33.71 76.69 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.739 -0.6 . . . . 0.0 110.372 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.539 HD21 ' SD ' ' B' ' 79' ' ' MET . 4.1 mm? -103.74 -36.89 7.7 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.0 t0 -81.74 53.93 2.28 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.2 -3.66 4.16 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -75.66 -35.84 60.3 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.79 82.57 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -82.56 1.27 38.84 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.87 28.98 71.24 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.4 mt-10 -145.33 158.45 43.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.303 -1.116 . . . . 0.0 110.267 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.57 120.05 23.45 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -80.01 169.98 17.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.479 -0.763 . . . . 0.0 109.979 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.5 p90 -56.09 -40.62 73.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.548 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.4 tt0 -60.02 -42.88 95.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 108.524 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 48.2 mt-10 -66.52 -39.91 88.87 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 2.1 t80 -60.03 -37.25 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.887 . . . . 0.0 109.36 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.8 mmt -59.93 -39.42 85.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.124 -0.985 . . . . 0.0 109.548 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . . . -66.47 -29.26 69.33 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.042 -1.036 . . . . 0.0 110.208 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -60.04 -41.37 92.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.916 -1.115 . . . . 0.0 108.73 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.2 OUTLIER -65.29 -41.13 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 20.4 m -59.98 -45.54 92.38 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.388 0.613 . . . . 0.0 109.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.539 ' SD ' HD21 ' B' ' 60' ' ' LEU . 49.4 mtp -61.18 -46.46 90.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.264 -0.897 . . . . 0.0 110.285 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.06 -30.58 11.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.492 -0.755 . . . . 0.0 109.935 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.506 ' N ' ' O ' ' B' ' 77' ' ' VAL . 96.2 m -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 108.649 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -70.62 -40.01 73.41 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.074 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.99 86.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.832 -1.168 . . . . 0.0 109.511 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.15 -42.02 99.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.883 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.01 -39.97 96.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -0.764 . . . . 0.0 109.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.06 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 0.0 109.641 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.08 123.01 14.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.349 1.071 . . . . 0.0 108.91 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -148.09 -163.15 1.71 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.17 -0.956 . . . . 0.0 109.682 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.372 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.29 0.567 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.499 HH11 ' HG2' ' X' ' 2' ' ' ARG . 0.0 OUTLIER -60.93 -39.32 88.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.36 -0.838 . . . . 0.0 109.445 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -59.88 139.84 57.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.971 . . . . 0.0 109.951 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' X' ' 5' ' ' ILE . 21.2 mmmt -116.91 163.53 16.06 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.549 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.7 pp -59.1 -160.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 O-C-N 120.816 -1.178 . . . . 0.0 108.297 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.549 ' N ' HD12 ' X' ' 5' ' ' ILE . 0.5 OUTLIER -50.58 -6.92 0.03 OUTLIER 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.743 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.526 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.3 OUTLIER -41.9 -24.54 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.394 -0.816 . . . . 0.0 109.588 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' X' ' 6' ' ' ASP . 9.3 p-10 -59.93 -39.98 87.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.33 -39.32 92.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' X' ' 7' ' ' TRP . 82.1 mt -59.94 -42.52 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.511 -0.743 . . . . 0.0 110.842 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.95 -39.99 87.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.863 -1.148 . . . . 0.0 108.501 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.388 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.348 0.594 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 0.0 OUTLIER -60.73 -39.56 89.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.43 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 69.2 p -59.88 139.93 57.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.209 -0.932 . . . . 0.0 109.986 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 44' ' ' LEU . 21.2 mmmt -116.87 163.61 15.92 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.536 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.7 pp -59.3 -160.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 120.792 -1.192 . . . . 0.0 108.214 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.536 ' N ' HD12 ' Y' ' 5' ' ' ILE . 0.5 OUTLIER -50.26 -7.05 0.03 OUTLIER 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.731 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.528 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.2 OUTLIER -41.69 -24.63 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.635 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 9.4 p-10 -59.86 -40.0 87.14 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 62.7 mttp -65.29 -39.57 92.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' Y' ' 7' ' ' TRP . 87.3 mt -60.0 -42.35 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.443 -0.786 . . . . 0.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Y' ' 11' ' ' LEU . 1.1 mm? -60.03 -39.4 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.841 -1.162 . . . . 0.0 108.674 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.474 -179.652 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -69.68 -38.7 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 109.897 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.86 -23.6 63.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.848 -1.157 . . . . 0.0 110.489 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' B' ' 43' ' ' PHE . 86.2 tt0 -59.89 -48.79 80.26 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.74 -1.225 . . . . 0.0 110.106 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -69.75 -36.67 75.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.948 -1.095 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.06 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.318 -0.864 . . . . 0.0 110.366 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 mmm -61.43 -40.67 95.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.897 -1.127 . . . . 0.0 109.05 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.54 -40.02 83.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.04 -45.49 85.22 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.849 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.09 -44.75 94.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.981 -1.074 . . . . 0.0 109.048 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.48 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.031 -1.043 . . . . 0.0 109.335 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -64.55 -39.92 94.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.865 -1.147 . . . . 0.0 109.418 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ALA . 25.3 t -55.9 -33.83 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 83.3 t80 -59.98 -48.47 81.57 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.416 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -67.42 -33.78 75.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.68 -0.637 . . . . 0.0 111.84 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.683 -1.261 . . . . 0.0 110.518 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.3 -34.82 9.84 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.994 -1.066 . . . . 0.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -69.05 -40.05 78.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.055 -1.028 . . . . 0.0 109.682 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.18 3.22 62.76 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 55.8 ttt180 -65.4 -39.43 92.18 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.398 -1.06 . . . . 0.0 109.184 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.73 166.94 12.57 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -59.04 -39.47 94.35 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 45.4 p-10 -67.9 70.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.311 . . . . 0.0 109.662 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' GLY . 63.8 tttp -69.33 -29.85 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.798 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -71.83 -32.41 67.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.0 110.514 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -125.05 148.86 48.3 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 109.833 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.18 120.61 42.59 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.579 -0.7 . . . . 0.0 109.596 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 30.5 ttmt -82.72 152.13 25.9 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.4 ptpp? -43.06 -37.47 1.98 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.026 -1.046 . . . . 0.0 110.169 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -61.47 -40.94 96.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.858 -1.151 . . . . 0.0 109.778 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 47.8 mt-10 -70.07 -39.97 75.31 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.054 -1.029 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD22 ' SD ' ' A' ' 57' ' ' MET . 13.7 tp -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.969 -1.082 . . . . 0.0 108.276 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -57.8 -40.07 79.05 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.14 -39.92 90.2 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -58.84 -49.47 77.62 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.09 -47.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.497 -0.752 . . . . 0.0 111.115 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -73.07 -24.77 60.72 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.397 -1.44 . . . . 0.0 111.528 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -87.18 -29.71 21.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.784 -1.198 . . . . 0.0 111.221 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 40' ' ' LEU . 81.4 mm-40 -102.94 -25.01 13.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.875 -1.141 . . . . 0.0 109.848 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 39' ' ' GLU . 19.3 mt -118.34 44.29 2.27 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.76 -89.81 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.706 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -107.17 -10.24 15.91 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.339 -0.851 . . . . 0.0 110.286 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 88.3 m-85 -69.11 -32.84 72.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 108.749 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' NE1' ' X' ' 7' ' ' TRP . 2.1 mt -134.1 -159.82 1.0 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.09 133.71 11.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.0 109.435 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -100.73 123.57 45.12 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HG11 ' A' ' 52' ' ' VAL . 48.2 mm -90.95 109.77 21.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.861 0.839 . . . . 0.0 109.683 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.25 -10.69 7.0 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.527 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.7 tp10 -124.17 135.03 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.295 0.569 . . . . 0.0 109.975 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -62.34 -23.62 66.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.325 -0.86 . . . . 0.0 109.422 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.03 -40.03 87.9 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.107 -0.995 . . . . 0.0 109.537 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 47' ' ' ILE . 47.8 t -62.4 -46.91 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 t -60.0 -42.0 88.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.769 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.63 -45.61 74.88 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.043 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.39 -39.98 81.52 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' VAL . 42.8 t -70.03 -36.83 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.4 mmm -71.27 -39.96 71.24 Favored 'General case' 0 C--O 1.199 -1.576 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 85.8 tt0 -58.42 -30.19 66.68 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.846 -1.159 . . . . 0.0 107.974 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 91.9 m -66.46 -40.02 89.15 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLU . 70.1 mt -105.81 -45.38 4.4 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.151 -0.968 . . . . 0.0 108.868 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.7 t0 -71.58 52.96 0.21 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' LEU . 73.6 mm-40 -67.08 3.79 1.06 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.743 0.782 . . . . 0.0 108.891 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 61' ' ' ASP . 90.6 m-20 -83.35 -32.08 26.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.18 10.65 83.47 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.3 p-10 -86.13 2.05 48.24 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.48 30.25 76.19 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.0 mt-10 -142.86 152.31 42.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.497 -1.002 . . . . 0.0 110.116 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.4 t -127.45 120.16 27.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.1 t70 -82.51 170.01 15.7 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.109 -0.995 . . . . 0.0 109.732 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.1 t80 -48.59 -49.4 36.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.28 -41.32 93.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.694 -0.629 . . . . 0.0 110.875 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.92 -40.0 75.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.891 -1.13 . . . . 0.0 108.938 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 t80 -69.52 -34.14 73.83 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.451 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -58.97 -34.82 72.25 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.21 -24.82 64.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.643 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 33.8 t80 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.074 . . . . 0.0 108.743 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -40.16 81.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 120.971 -1.081 . . . . 0.0 108.548 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.417 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 51.8 m -65.56 -42.13 92.19 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.538 -177.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.56 -39.89 73.69 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.439 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 t -77.44 -33.06 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.757 -1.214 . . . . 0.0 109.459 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.6 m -67.07 -39.97 86.95 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.729 -1.232 . . . . 0.0 108.311 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -69.92 -40.08 75.76 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.437 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.96 97.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.024 -1.048 . . . . 0.0 109.967 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 t -63.72 -41.72 98.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.79 -40.28 94.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -0.947 . . . . 0.0 109.168 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 86.8 tt0 -60.79 -40.67 93.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.424 -0.797 . . . . 0.0 109.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -67.39 107.13 2.31 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.363 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 86' ' ' GLU . 89.8 m-85 -90.89 -154.94 0.37 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.015 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.93 -76.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.275 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -63.18 -39.97 96.16 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.29 -0.881 . . . . 0.0 108.821 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.207 179.794 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.41 -38.62 78.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.0 109.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.84 -23.72 63.34 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.875 -1.141 . . . . 0.0 110.527 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.1 tt0 -59.92 -49.18 78.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 109.951 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -69.26 -37.17 77.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 109.662 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.11 95.23 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 110.33 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.7 mmm -61.58 -40.46 94.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.796 -1.19 . . . . 0.0 109.019 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.66 -39.98 83.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.83 -45.61 85.43 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.923 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.03 -44.95 94.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.007 -1.058 . . . . 0.0 109.062 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.17 -49.4 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.03 -1.044 . . . . 0.0 109.433 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.73 -39.96 94.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.393 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 9' ' ' ALA . 29.5 t -55.84 -33.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 83.4 t80 -60.01 -48.74 80.47 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.353 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.26 -33.68 75.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.64 -0.662 . . . . 0.0 111.856 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.92 -40.05 87.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.642 -1.286 . . . . 0.0 110.585 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -100.2 -34.98 9.8 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.015 -1.053 . . . . 0.0 109.998 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -68.94 -40.07 79.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.001 -1.062 . . . . 0.0 109.707 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.16 3.32 62.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 55.5 ttt180 -65.3 -39.72 92.89 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.366 -1.079 . . . . 0.0 109.1 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -119.58 167.15 12.28 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -59.1 -39.66 94.67 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' OE1' ' B' ' 31' ' ' GLU . 45.0 p-10 -67.75 70.3 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.935 -1.332 . . . . 0.0 109.684 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 22' ' ' GLY . 64.8 tttp -69.47 -29.81 67.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 0.0 109.758 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -71.77 -32.18 67.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.624 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -125.2 149.16 48.23 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.169 -0.957 . . . . 0.0 109.773 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 54.6 mt -107.29 120.53 42.39 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.594 -0.691 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 29' ' ' LYS . 31.1 ttmt -82.61 152.27 25.99 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -43.19 -37.39 2.08 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.958 -1.089 . . . . 0.0 110.161 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 m -61.35 -40.87 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 47.7 mt-10 -70.06 -40.23 75.2 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.983 -1.073 . . . . 0.0 110.002 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' B' ' 57' ' ' MET . 13.3 tp -69.97 -31.57 69.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.941 -1.1 . . . . 0.0 108.401 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -57.57 -40.01 78.02 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 79.2 mm-40 -66.02 -39.98 90.7 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.701 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -58.95 -49.56 77.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.0 -47.3 69.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.507 -0.746 . . . . 0.0 111.136 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -72.78 -24.92 61.0 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.499 -1.376 . . . . 0.0 111.503 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -87.12 -29.87 21.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 -177.618 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 40' ' ' LEU . 81.3 mm-40 -102.79 -24.86 13.69 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.898 -1.126 . . . . 0.0 109.921 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' B' ' 39' ' ' GLU . 19.3 mt -118.45 44.42 2.26 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.7 m -52.79 -89.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.616 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -107.21 -10.28 15.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.446 -0.784 . . . . 0.0 110.304 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 88.8 m-85 -69.06 -32.81 72.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 108.757 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.22 -159.94 1.01 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.83 133.7 10.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.03 -1.044 . . . . 0.0 109.472 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.86 123.81 45.6 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' B' ' 52' ' ' VAL . 46.9 mm -90.97 109.79 21.48 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-O 121.954 0.883 . . . . 0.0 109.728 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.41 -10.48 6.9 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.2 tp10 -124.3 134.88 53.07 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.227 0.537 . . . . 0.0 109.976 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -62.15 -23.6 66.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.404 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 pp20? -60.04 -40.17 88.46 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.154 -0.966 . . . . 0.0 109.605 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.511 HG11 ' CD1' ' B' ' 47' ' ' ILE . 45.9 t -62.27 -46.93 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.01 -41.6 86.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.8 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.0 -45.57 73.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 118.779 -1.168 . . . . 0.0 109.041 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.51 -39.91 81.05 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -69.98 -36.84 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.5 mmm -71.33 -39.98 71.03 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.435 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.1 tt0 -58.59 -30.02 66.89 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 91.3 m -66.58 -39.89 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.295 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 62' ' ' GLU . 69.3 mt -105.84 -45.55 4.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.126 -0.984 . . . . 0.0 108.725 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.4 t0 -71.43 52.95 0.2 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 60' ' ' LEU . 74.0 mm-40 -67.1 3.88 1.04 Allowed 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 61' ' ' ASP . 90.6 m-20 -83.3 -32.19 26.47 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 10.58 83.38 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.2 p-10 -86.24 2.26 47.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.428 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.41 30.16 76.1 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.9 mt-10 -142.77 152.49 42.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 110.081 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 8.0 t -127.53 120.06 27.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.2 t70 -82.53 170.02 15.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.1 t80 -48.47 -49.52 35.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.14 -41.51 92.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.627 -0.671 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -69.66 -40.04 76.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.881 -1.137 . . . . 0.0 108.99 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 t80 -69.84 -33.77 72.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -58.99 -34.86 72.32 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -25.05 64.11 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.566 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 76' ' ' PHE . 33.4 t80 -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.924 -1.11 . . . . 0.0 108.879 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -40.0 80.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 O-C-N 121.009 -1.057 . . . . 0.0 108.587 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -65.62 -42.14 91.91 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.634 -177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.59 -40.0 73.5 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 118.34 -1.344 . . . . 0.0 110.442 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -77.18 -33.4 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.778 -1.201 . . . . 0.0 109.508 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -66.87 -39.84 87.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.716 -1.24 . . . . 0.0 108.364 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 84.7 m -69.82 -40.09 76.09 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.182 0.515 . . . . 0.0 110.489 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.29 98.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 110.016 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.67 -41.67 98.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.186 -0.946 . . . . 0.0 109.467 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -61.79 -40.22 94.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.18 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 86.5 tt0 -60.96 -40.73 94.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.447 -0.783 . . . . 0.0 109.843 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -67.33 107.25 2.33 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.324 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' B' ' 86' ' ' GLU . 90.3 m-85 -90.88 -154.65 0.36 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.349 -0.845 . . . . 0.0 109.038 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -87.21 -76.61 0.36 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.263 -0.898 . . . . 0.0 109.217 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.28 -39.91 95.9 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.326 -0.859 . . . . 0.0 108.902 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.225 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.33 -30.16 68.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 0.0 109.141 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -60.02 141.57 55.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.427 -0.795 . . . . 0.0 109.804 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.92 166.69 23.95 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.379 -0.826 . . . . 0.0 109.239 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' X' ' 7' ' ' TRP . 1.4 pp -67.34 -173.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-O 122.303 1.049 . . . . 0.0 109.186 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -67.38 44.16 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.924 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -60.99 -24.66 66.3 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.46 -40.06 81.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.169 -0.957 . . . . 0.0 109.487 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.42 -38.22 86.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.047 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -39.4 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 0.0 109.995 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 64.6 mt -57.56 -40.02 77.98 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.205 -0.934 . . . . 0.0 109.176 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.74 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.09 -30.29 68.56 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.194 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -60.0 141.62 55.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.773 . . . . 0.0 109.861 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -140.04 166.35 24.89 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.47 -0.769 . . . . 0.0 109.298 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' Y' ' 7' ' ' TRP . 1.4 pp -67.22 -173.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-O 122.361 1.077 . . . . 0.0 109.2 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -67.3 44.08 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.906 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.499 ' N ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.91 -24.64 66.15 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.58 -40.02 81.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 109.435 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.28 -38.34 86.41 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 97.7 mt -60.03 -39.54 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.447 ' O ' ' OG1' ' B' ' 59' ' ' THR . 47.5 mt -57.76 -39.59 77.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.183 -0.948 . . . . 0.0 109.378 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.686 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.439 0.638 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.05 -38.28 85.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.475 -0.766 . . . . 0.0 110.044 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.84 -30.96 69.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.683 -1.261 . . . . 0.0 109.602 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.991 -1.068 . . . . 0.0 110.491 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -31.99 73.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.692 -1.255 . . . . 0.0 108.456 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.97 97.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.496 -0.752 . . . . 0.0 109.587 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.4 mtt -60.09 -40.01 88.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.02 -1.05 . . . . 0.0 108.974 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.87 -40.36 82.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -48.87 58.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.849 -0.532 . . . . 0.0 110.165 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' B' ' 10' ' ' LEU . 93.9 mt -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.106 -0.996 . . . . 0.0 110.121 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.28 -40.1 87.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.037 -1.039 . . . . 0.0 108.559 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.31 -39.92 77.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.268 -0.895 . . . . 0.0 110.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.43 -34.41 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.9 -48.46 81.59 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.469 -0.769 . . . . 0.0 109.378 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -70.11 -27.2 64.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.582 -0.699 . . . . 0.0 110.862 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.23 -46.17 90.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.167 -0.958 . . . . 0.0 111.355 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -101.72 -25.35 13.88 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.843 -1.161 . . . . 0.0 110.556 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -60.04 -40.13 88.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.562 -1.336 . . . . 0.0 108.234 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.43 4.39 59.77 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.001 -1.293 . . . . 0.0 108.854 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -129.45 161.2 30.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.699 -0.626 . . . . 0.0 109.422 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.56 -34.86 50.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.16 77.34 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.896 -1.355 . . . . 0.0 108.998 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.07 -16.46 56.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.0 109.647 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -71.29 -39.71 71.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.463 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -129.2 155.87 44.84 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.303 -0.873 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.44 115.0 29.45 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 80.0 tttt -80.01 156.9 26.94 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 13.2 ptpt -44.14 -40.24 4.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.048 -1.033 . . . . 0.0 110.012 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.4 m -60.09 -41.55 92.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.16 -0.963 . . . . 0.0 109.615 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -69.89 -40.07 75.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 35' ' ' LEU . 58.9 tp -65.22 -39.17 92.41 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.02 -40.5 89.52 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.556 -0.715 . . . . 0.0 109.871 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 50.1 tp10 -70.29 -40.05 74.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.94 -1.1 . . . . 0.0 108.842 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.721 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.01 -50.19 74.69 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.78 -0.575 . . . . 0.0 109.85 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -70.12 -41.73 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.909 -1.119 . . . . 0.0 110.058 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -65.87 -37.19 85.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.983 -1.073 . . . . 0.0 110.561 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.556 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 9.1 m-20 -86.22 -12.71 48.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.159 -0.963 . . . . 0.0 110.444 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -106.32 -27.71 10.83 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.4 mt -112.01 54.8 0.69 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 94.9 p -45.07 -99.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.517 -0.739 . . . . 0.0 111.039 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' N ' ' OG ' ' A' ' 41' ' ' SER . 72.7 m80 -114.34 -20.42 10.85 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 110.208 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.92 -39.08 84.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 108.744 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' HE1' ' X' ' 7' ' ' TRP . 2.1 mt -116.3 -162.57 0.85 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -60.06 135.14 57.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.921 -1.112 . . . . 0.0 110.318 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 5.0 pt-20 -99.19 116.23 30.91 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -83.35 126.88 40.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.979 0 CA-C-O 121.835 0.826 . . . . 0.0 109.01 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -138.55 -15.09 1.23 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 86.1 mt-10 -123.08 153.63 39.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.436 -0.79 . . . . 0.0 110.368 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.53 -23.72 62.68 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 pt-20 -60.67 -42.19 96.56 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.302 -0.873 . . . . 0.0 110.06 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 t -62.98 -47.02 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.28 -40.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.69 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.86 -40.06 79.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 118.748 -1.181 . . . . 0.0 109.47 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.93 -39.92 75.84 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.958 0.885 . . . . 0.0 108.843 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 52' ' ' VAL . 49.6 t -69.64 -39.21 77.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-O 121.734 0.778 . . . . 0.0 109.017 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' ASP . 53.6 mtp -70.69 -39.98 73.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.49 -33.69 76.14 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 94.7 m -69.76 -40.05 76.34 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.497 0.665 . . . . 0.0 110.088 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -102.61 -58.39 1.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' MET . 94.3 m-20 -84.69 60.82 6.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.77 5.13 0.67 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 61' ' ' ASP . 89.1 m-20 -71.51 -34.69 70.32 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.71 10.69 83.92 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 29.7 p-10 -78.57 -0.54 30.09 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.24 31.11 75.86 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 107.486 -2.246 . . . . 0.0 107.486 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -143.01 151.12 40.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.525 -0.985 . . . . 0.0 110.323 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 115.86 20.88 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.61 165.47 22.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.147 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 27.0 p90 -55.09 -40.02 69.96 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.202 -0.936 . . . . 0.0 108.858 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 61.8 tt0 -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.97 . . . . 0.0 108.739 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 -39.97 75.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.469 -0.769 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.695 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.4 t80 -59.74 -39.89 86.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.751 -1.218 . . . . 0.0 108.625 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -31.72 71.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.253 -0.904 . . . . 0.0 109.509 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -69.28 -31.35 69.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.931 -1.106 . . . . 0.0 109.986 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.01 -41.48 92.24 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.051 -1.03 . . . . 0.0 109.519 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -60.61 -44.08 96.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -63.77 -40.84 97.65 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.56 -45.01 95.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 110.469 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.6 -28.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.125 -0.985 . . . . 0.0 110.01 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 m -65.96 -40.02 90.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.067 -1.021 . . . . 0.0 109.047 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 p -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.745 -0.597 . . . . 0.0 110.554 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.87 95.58 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.043 -1.036 . . . . 0.0 109.904 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.89 -44.71 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.218 -0.926 . . . . 0.0 109.479 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -62.35 -40.44 96.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.431 -0.793 . . . . 0.0 110.367 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.068 -1.02 . . . . 0.0 109.909 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.86 106.38 0.8 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.04 -1.037 . . . . 0.0 108.71 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -89.17 -161.92 0.81 Allowed 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -99.05 111.71 24.04 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.403 -0.81 . . . . 0.0 109.569 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.96 -46.81 88.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.752 -0.593 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.317 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.342 0.592 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.12 -38.1 85.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.539 -0.726 . . . . 0.0 110.041 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -59.95 -31.02 69.47 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.65 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.94 -50.05 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.049 -1.032 . . . . 0.0 110.451 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -32.25 73.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.494 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.68 96.33 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.482 -0.761 . . . . 0.0 109.513 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -60.14 -39.99 88.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.995 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.02 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.14 59.24 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.341 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 10' ' ' LEU . 88.5 mt -61.84 -41.03 97.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 109.935 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.9 -40.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.976 -1.077 . . . . 0.0 108.473 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.47 -39.78 77.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.4 -34.85 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.01 -47.89 83.98 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.401 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.47 -26.84 63.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.457 -0.777 . . . . 0.0 110.783 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.92 -46.88 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.11 -0.994 . . . . 0.0 111.358 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -101.57 -25.19 13.98 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.967 -1.083 . . . . 0.0 110.515 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -60.22 -39.84 88.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.559 -1.338 . . . . 0.0 108.083 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.79 60.38 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.29 . . . . 0.0 108.891 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -129.38 161.31 30.63 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.685 -0.634 . . . . 0.0 109.479 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.75 49.22 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.43 77.72 0.56 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.883 -1.363 . . . . 0.0 108.935 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.33 -16.53 56.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 109.5 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -71.31 -39.63 71.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 110.416 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -129.1 155.73 44.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.306 -0.871 . . . . 0.0 110.466 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.27 114.84 29.21 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 29' ' ' LYS . 83.8 tttt -79.95 157.2 26.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.946 -1.096 . . . . 0.0 108.109 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' B' ' 57' ' ' MET . 13.2 ptpt -44.62 -40.0 5.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.002 -1.061 . . . . 0.0 110.038 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.57 -41.18 94.1 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.494 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.527 HD12 HD23 ' B' ' 35' ' ' LEU . 58.6 tp -65.06 -39.02 92.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -59.88 -41.19 91.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.508 -0.745 . . . . 0.0 109.815 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.541 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 50.0 tp10 -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.003 -1.061 . . . . 0.0 108.897 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.0 -50.11 75.01 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.937 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.99 -41.88 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.841 -1.162 . . . . 0.0 110.047 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.62 -37.24 86.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.09 -1.006 . . . . 0.0 110.526 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.541 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 9.5 m-20 -85.96 -13.16 48.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 110.575 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.98 -27.61 11.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.284 -0.885 . . . . 0.0 108.72 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.03 54.75 0.69 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.6 p -45.05 -99.14 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.513 -0.742 . . . . 0.0 111.15 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.444 ' N ' ' OG ' ' B' ' 41' ' ' SER . 72.7 m80 -114.52 -20.27 10.82 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.381 -0.825 . . . . 0.0 110.129 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.01 -39.52 86.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.004 -1.06 . . . . 0.0 108.603 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -116.03 -162.47 0.84 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER -60.28 135.64 57.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.95 -1.094 . . . . 0.0 110.415 -179.177 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 5.1 pt-20 -99.45 116.21 31.07 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.45 126.99 40.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 CA-C-O 121.942 0.877 . . . . 0.0 109.015 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.549 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -138.58 -15.15 1.23 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -123.33 153.96 39.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 110.33 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.58 -23.85 62.66 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -60.59 -42.13 96.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.3 -0.875 . . . . 0.0 110.175 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.9 -47.15 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.01 -41.11 85.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.831 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.92 -40.21 79.18 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.868 -1.133 . . . . 0.0 109.203 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.84 -40.0 76.1 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.012 0.911 . . . . 0.0 108.764 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.39 -39.54 78.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.625 ' O ' ' N ' ' B' ' 61' ' ' ASP . 51.1 mtp -70.54 -40.07 73.63 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.93 -34.04 76.62 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 95.0 m -69.91 -39.96 75.87 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.497 0.665 . . . . 0.0 110.094 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -102.05 -58.96 1.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' B' ' 57' ' ' MET . 94.6 m-20 -84.61 60.61 6.2 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.84 5.45 0.64 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.987 0.898 . . . . 0.0 108.609 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.7 m-20 -71.54 -34.93 70.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.97 10.61 83.75 Favored Glycine 0 N--CA 1.482 1.724 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.4 p-10 -78.3 -0.83 30.36 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.5 30.87 75.65 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.561 -2.215 . . . . 0.0 107.561 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -143.06 151.26 40.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.378 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.36 116.07 21.31 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.83 165.61 22.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.122 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 27.0 p90 -55.09 -39.97 69.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.074 -1.016 . . . . 0.0 108.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.597 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.7 tt0 -62.97 -41.79 99.64 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.12 -0.988 . . . . 0.0 108.657 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.98 -39.98 75.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.554 -0.716 . . . . 0.0 110.69 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.6 t80 -59.89 -39.88 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.647 -1.283 . . . . 0.0 108.629 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -31.87 70.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.414 ' HB3' HD21 ' B' ' 60' ' ' LEU . . . -69.64 -30.89 68.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 109.993 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' B' ' 80' ' ' VAL . 71.1 t80 -60.13 -42.17 94.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.381 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.411 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -60.13 -43.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.6 t -63.73 -40.81 97.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.417 ' CE ' HG23 ' Y' ' 10' ' ' ILE . 60.4 ttp -61.43 -45.3 94.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 110.593 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -82.56 -28.94 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.165 -0.959 . . . . 0.0 109.872 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 87.1 m -65.89 -39.89 91.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.108 -0.995 . . . . 0.0 109.067 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -72.65 -40.31 66.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.688 -0.632 . . . . 0.0 110.536 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.432 ' HB1' HD13 ' Y' ' 5' ' ' ILE . . . -60.26 -44.88 94.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.9 t -65.23 -44.38 88.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.087 -1.008 . . . . 0.0 109.551 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.56 -40.2 96.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.333 -0.854 . . . . 0.0 110.299 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.35 -40.08 89.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.925 -1.11 . . . . 0.0 109.911 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -62.65 106.08 0.74 Allowed 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.688 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -88.83 -161.86 0.8 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -98.92 111.85 24.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.701 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -60.06 -47.02 87.6 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.775 -0.578 . . . . 0.0 109.623 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.373 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' X' ' 2' ' ' ARG . 12.3 ptt-85 -89.72 -0.11 57.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.856 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 82.5 p -70.33 157.86 36.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.082 -1.011 . . . . 0.0 110.033 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -81.68 158.08 24.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.555 -0.715 . . . . 0.0 109.801 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.754 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.6 pp -45.85 -71.29 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.573 -0.704 . . . . 0.0 109.931 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.754 ' N ' HD12 ' X' ' 5' ' ' ILE . 3.1 p30 -171.51 32.67 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.524 ' HA ' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -51.1 -24.74 4.24 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.972 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -59.06 -39.9 83.5 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.9 -40.09 91.77 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' X' ' 7' ' ' TRP . 96.8 mt -61.53 -40.04 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.559 -0.713 . . . . 0.0 111.564 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 59' ' ' THR . 6.9 mp -59.9 -39.97 87.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.397 -1.439 . . . . 0.0 108.452 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.494 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 11.5 ptt-85 -89.38 -0.48 57.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.124 -0.985 . . . . 0.0 109.894 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 82.0 p -69.97 157.77 36.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.0 110.164 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -81.69 157.59 24.55 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.49 0.662 . . . . 0.0 109.763 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.766 HD12 ' H ' ' Y' ' 6' ' ' ASP . 1.5 pp -45.89 -70.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.513 -0.742 . . . . 0.0 110.083 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.766 ' H ' HD12 ' Y' ' 5' ' ' ILE . 3.1 p30 -171.74 32.65 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.512 ' CD1' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -51.09 -24.59 4.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.018 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -59.31 -40.06 85.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -60.68 -40.03 90.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 96.4 mt -61.6 -40.05 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.511 -0.743 . . . . 0.0 111.478 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.3 mp -59.85 -39.84 86.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.239 -1.538 . . . . 0.0 108.586 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.3 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.51 -38.64 81.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 0.0 109.952 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.97 -25.22 67.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.915 -1.116 . . . . 0.0 110.644 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -49.8 76.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.894 -1.129 . . . . 0.0 110.553 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -69.85 -39.96 76.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.395 -1.441 . . . . 0.0 109.054 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.59 97.07 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.377 -0.827 . . . . 0.0 109.893 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.6 ttm -60.05 -42.7 95.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.637 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.9 -40.0 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.98 99.77 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.344 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.72 -40.15 94.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.954 -1.091 . . . . 0.0 109.459 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' B' ' 84' ' ' CYS . 97.1 mt -62.26 -41.63 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.859 . . . . 0.0 110.035 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.99 -39.98 75.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.701 -1.249 . . . . 0.0 110.098 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.01 -34.36 56.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.013 -1.055 . . . . 0.0 108.483 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -58.28 -49.59 76.61 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -77.11 -27.71 54.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.333 -0.854 . . . . 0.0 112.221 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.01 -40.36 88.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.59 -1.319 . . . . 0.0 111.558 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.51 -30.95 9.7 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.875 -1.141 . . . . 0.0 110.579 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -61.91 -44.14 97.39 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.922 -1.111 . . . . 0.0 111.158 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.53 81.39 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.91 -1.138 . . . . 0.0 110.497 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -69.98 -41.62 74.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.823 -1.398 . . . . 0.0 110.726 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 53.8 tp10 -164.6 158.7 18.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.109 -0.994 . . . . 0.0 109.138 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -158.77 46.38 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.54 130.51 42.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -1.092 . . . . 0.0 109.773 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.26 -40.01 78.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.478 -0.764 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -76.98 -20.39 56.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 0.0 112.01 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.02 158.66 38.99 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.899 -1.125 . . . . 0.0 110.424 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.85 120.08 41.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.665 . . . . 0.0 109.558 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HZ2' ' CB ' ' A' ' 30' ' ' SER . 27.2 ttpp -93.3 150.39 20.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' LYS . 26.7 ttmt -36.94 -42.91 0.42 Allowed 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.217 0.532 . . . . 0.0 110.428 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.514 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 99.8 p -62.86 -42.31 99.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -0.935 . . . . 0.0 110.167 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 34.5 mt-10 -68.7 -40.06 80.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.973 -1.08 . . . . 0.0 108.524 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.45 -40.06 93.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.568 -0.708 . . . . 0.0 109.659 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.41 -40.05 85.41 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.505 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 35.3 tp10 -65.19 -41.38 94.63 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.465 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.79 -49.96 75.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.655 -0.653 . . . . 0.0 110.013 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -80.93 -33.48 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.172 -0.955 . . . . 0.0 111.982 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 10.0 p-10 -77.27 -26.03 52.0 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.569 -1.957 . . . . 0.0 111.266 -177.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 59.0 m-20 -108.97 -37.23 5.89 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 121.241 -0.912 . . . . 0.0 111.52 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' HD22 ' A' ' 40' ' ' LEU . 2.8 tm-20 -82.31 -22.15 35.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.584 -1.323 . . . . 0.0 108.688 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 39' ' ' GLU . 2.1 mm? -117.91 74.03 0.92 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' LEU . 4.2 m -59.91 -134.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.591 -0.693 . . . . 0.0 110.162 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -91.02 -1.46 57.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 109.581 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.97 -40.97 90.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 4.6 tp -120.37 -49.92 2.25 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.612 -0.68 . . . . 0.0 109.358 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.29 128.93 6.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.13 -0.981 . . . . 0.0 109.286 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -99.28 119.99 38.82 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -87.99 108.52 18.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-O 121.882 0.849 . . . . 0.0 109.541 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -13.75 8.6 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -123.65 148.55 46.36 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.676 0.75 . . . . 0.0 110.535 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.65 -20.43 61.26 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.21 -40.52 90.42 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.858 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.0 t -64.04 -50.07 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.4 t -59.98 -46.74 93.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.013 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.57 -42.62 99.66 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 120.781 -1.199 . . . . 0.0 109.402 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.08 -38.44 72.44 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -77.11 -32.45 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 121.796 0.808 . . . . 0.0 108.994 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -72.44 -40.38 67.09 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.19 -35.57 75.69 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -72.6 -24.15 61.04 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.511 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 72' ' ' GLU . 19.4 tp -104.9 -45.85 4.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.245 -0.909 . . . . 0.0 108.925 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 57' ' ' MET . 22.7 t0 -75.17 53.2 0.62 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -66.56 6.45 0.46 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.771 0.796 . . . . 0.0 109.115 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.7 m-20 -91.42 -28.07 17.89 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.6 6.84 88.19 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 39.6 p-10 -91.28 4.15 53.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.617 -0.931 . . . . 0.0 109.134 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.56 28.44 72.31 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 99.5 mt-10 -145.57 159.76 42.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.462 -1.022 . . . . 0.0 110.065 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 123.23 26.16 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 48.1 p-10 -82.82 171.84 13.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.754 -1.216 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 36.0 p90 -53.21 -43.03 66.89 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.263 -0.898 . . . . 0.0 109.385 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 4.6 tp-100 -60.09 -41.51 92.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.26 -0.9 . . . . 0.0 109.275 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.645 ' O ' HD11 ' A' ' 60' ' ' LEU . 31.0 mt-10 -67.13 -39.99 86.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -0.92 . . . . 0.0 110.059 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.09 -38.97 80.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 0.0 109.333 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.6 tpt -59.93 -34.79 73.7 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.798 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.08 68.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.031 -1.043 . . . . 0.0 110.22 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 80' ' ' VAL . 52.2 t80 -59.39 -40.01 85.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.885 -1.134 . . . . 0.0 108.068 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -39.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -60.88 -46.61 89.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.84 -0.537 . . . . 0.0 111.491 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.416 ' O ' ' OG1' ' A' ' 82' ' ' THR . 17.4 ptt? -70.0 -39.85 75.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.692 -1.255 . . . . 0.0 110.084 -178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG13 HD13 ' X' ' 10' ' ' ILE . 12.2 t -72.82 -34.81 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.976 -1.078 . . . . 0.0 108.474 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 m -62.8 -39.89 95.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.199 -0.938 . . . . 0.0 108.641 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 79' ' ' MET . 7.2 p -64.66 -40.01 94.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.818 . . . . 0.0 109.883 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.68 72.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.063 -1.023 . . . . 0.0 110.607 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.557 ' SG ' HD11 ' B' ' 11' ' ' ILE . 15.1 p -61.12 -41.0 95.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.157 -0.964 . . . . 0.0 109.95 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.542 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 54.4 t-80 -60.02 -40.73 90.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 109.701 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.65 -40.34 95.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.205 -0.934 . . . . 0.0 109.918 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 110.306 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.14 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 91' ' ' GLU . 9.5 tm-20 -65.66 98.16 0.36 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.427 -0.796 . . . . 0.0 108.993 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.91 -40.0 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.549 -0.72 . . . . 0.0 110.728 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 40.4 mp0 . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.085 -1.009 . . . . 0.0 109.793 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.25 -38.61 81.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.478 -0.764 . . . . 0.0 110.066 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.8 -25.52 67.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.914 -1.116 . . . . 0.0 110.621 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 8' ' ' VAL . 85.7 tt0 -59.96 -49.72 76.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.919 -1.113 . . . . 0.0 110.602 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -69.94 -39.98 75.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.441 -1.412 . . . . 0.0 109.009 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 0.0 109.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.5 ttm -60.22 -42.57 95.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 109.685 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.8 t -60.92 -39.94 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.04 99.38 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.498 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.57 -39.91 95.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.208 . . . . 0.0 109.215 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.557 HD11 ' SG ' ' A' ' 84' ' ' CYS . 97.3 mt -61.64 -41.96 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.87 . . . . 0.0 110.064 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.07 -39.94 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.694 -1.254 . . . . 0.0 109.998 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.02 -34.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.021 -1.049 . . . . 0.0 108.473 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.87 -49.14 78.89 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.478 -0.763 . . . . 0.0 109.718 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -77.49 -27.45 51.93 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 0.0 112.156 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.05 -40.51 89.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.648 -1.283 . . . . 0.0 111.537 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.33 -31.48 9.53 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 120.904 -1.123 . . . . 0.0 110.612 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.2 t -61.69 -44.06 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.143 . . . . 0.0 111.134 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.19 81.56 Favored Glycine 0 N--CA 1.494 2.544 0 C-N-CA 119.883 -1.151 . . . . 0.0 110.517 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -69.96 -41.87 73.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.77 -1.429 . . . . 0.0 110.657 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 54.0 tp10 -164.34 158.68 18.95 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.011 . . . . 0.0 109.057 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 -158.93 45.59 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.68 130.77 42.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.371 -1.076 . . . . 0.0 109.675 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.37 -40.08 77.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.458 -0.776 . . . . 0.0 109.972 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -76.88 -20.12 56.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 0.0 112.091 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -130.12 158.45 39.62 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.865 -1.147 . . . . 0.0 110.382 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.72 120.13 41.18 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.649 -0.657 . . . . 0.0 109.525 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.521 ' HZ2' ' CB ' ' B' ' 30' ' ' SER . 27.6 ttpp -93.14 150.57 20.41 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.321 -0.862 . . . . 0.0 109.205 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 28' ' ' LYS . 28.4 ttmt -37.04 -43.29 0.46 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.216 0.531 . . . . 0.0 110.363 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.521 ' CB ' ' HZ2' ' B' ' 28' ' ' LYS . 98.8 p -62.68 -42.24 99.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.12 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 35.8 mt-10 -68.72 -39.97 80.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.027 -1.046 . . . . 0.0 108.537 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.72 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.65 -39.94 86.05 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 33.6 tp10 -65.28 -41.17 94.46 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.146 -1.022 . . . . 0.0 108.427 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 tp -60.75 -50.18 74.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.661 -0.649 . . . . 0.0 109.88 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.44 -33.92 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.227 -0.92 . . . . 0.0 112.04 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.576 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 9.4 p-10 -77.01 -26.08 53.42 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.472 -2.018 . . . . 0.0 111.341 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.576 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 58.7 m-20 -109.01 -37.16 5.9 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.201 -0.937 . . . . 0.0 111.582 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.478 ' O ' HD22 ' B' ' 40' ' ' LEU . 2.7 tm-20 -82.4 -21.96 35.59 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.643 -1.286 . . . . 0.0 108.655 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' O ' ' B' ' 39' ' ' GLU . 2.4 mm? -117.86 73.83 0.91 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.8 m -59.75 -134.76 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.17 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -90.72 -1.51 57.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.98 -1.075 . . . . 0.0 109.633 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.04 -40.99 91.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.92 . . . . 0.0 109.629 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 4.2 tp -120.04 -50.63 2.26 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.639 -0.663 . . . . 0.0 109.346 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.38 129.31 7.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.193 -0.942 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -99.47 119.77 38.54 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -88.03 108.33 18.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 121.904 0.859 . . . . 0.0 109.376 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -13.89 8.73 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -123.53 148.55 46.2 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.679 0.752 . . . . 0.0 110.594 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.33 -20.62 61.45 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.06 -40.42 89.41 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.068 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.444 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.2 t -64.12 -50.01 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -60.12 -46.54 94.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -62.92 -42.59 99.85 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.434 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.12 -38.32 72.31 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 109.274 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.7 t -77.08 -32.36 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.798 0.808 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.57 ' N ' ' O ' ' B' ' 53' ' ' VAL . 10.1 tpt -72.58 -40.43 66.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.43 -35.23 75.33 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.8 m -72.78 -23.94 60.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.549 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.654 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.0 tp -105.04 -45.81 4.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.284 -0.885 . . . . 0.0 108.822 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 23.0 t0 -75.08 53.21 0.6 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -66.61 6.5 0.46 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.762 0.791 . . . . 0.0 109.087 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -91.46 -28.2 17.79 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.07 6.34 88.31 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.6 p-10 -91.14 4.24 52.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.492 -1.005 . . . . 0.0 109.165 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.46 28.47 72.4 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 99.6 mt-10 -145.51 159.93 42.37 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -1.04 . . . . 0.0 110.11 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.95 123.15 25.39 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 47.5 p-10 -82.55 171.74 13.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.855 -1.153 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 36.8 p90 -53.23 -42.89 66.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.427 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 4.7 tp-100 -60.31 -41.02 92.58 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.197 -0.939 . . . . 0.0 109.344 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.654 ' O ' HD11 ' B' ' 60' ' ' LEU . 30.4 mt-10 -67.2 -39.93 86.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.121 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.58 -38.87 82.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.993 -1.067 . . . . 0.0 109.336 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.8 tpt -59.93 -34.63 73.49 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 119.194 -1.002 . . . . 0.0 108.832 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.3 69.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 110.189 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.482 ' O ' HG23 ' B' ' 80' ' ' VAL . 53.8 t80 -59.45 -39.95 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.903 -1.123 . . . . 0.0 108.146 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.61 -38.49 79.12 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.07 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.18 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -61.5 -46.24 90.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.79 -0.569 . . . . 0.0 111.459 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.437 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.5 ptt? -70.19 -40.01 74.86 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.497 -1.281 . . . . 0.0 110.046 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.491 HG13 HD13 ' Y' ' 10' ' ' ILE . 11.9 t -72.81 -34.56 47.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.951 -1.093 . . . . 0.0 108.593 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.7 m -62.79 -39.86 95.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.105 -0.997 . . . . 0.0 108.578 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 79' ' ' MET . 9.7 p -64.52 -39.97 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.0 109.99 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.67 72.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 110.505 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 15.1 p -60.92 -41.12 95.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.08 -1.012 . . . . 0.0 109.839 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.552 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 54.7 t-80 -60.14 -41.04 91.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.645 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.98 -40.68 96.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.14 -39.99 88.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.0 110.152 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -59.96 -39.93 87.31 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.0 109.131 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' B' ' 91' ' ' GLU . 9.4 tm-20 -65.56 97.99 0.34 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.453 -0.78 . . . . 0.0 108.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.94 -40.05 75.72 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.535 -0.728 . . . . 0.0 110.677 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 40.1 mp0 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.752 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.062 0.458 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.214 -0.929 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 4.4 m 59.4 60.36 2.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.198 -0.939 . . . . 0.0 108.976 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -138.02 167.37 21.93 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.394 -0.816 . . . . 0.0 109.725 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.701 ' C ' HD12 ' X' ' 5' ' ' ILE . 1.6 pp -118.89 156.35 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.514 ' C ' HD12 ' X' ' 5' ' ' ILE . 86.4 m-20 -46.57 89.71 0.0 OUTLIER 'General case' 0 C--N 1.283 -2.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.386 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.548 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -79.88 -24.74 40.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.569 -0.707 . . . . 0.0 109.882 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.698 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER -50.26 -38.56 41.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.817 -1.177 . . . . 0.0 109.109 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.28 -40.08 86.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.507 HD13 HG13 ' A' ' 80' ' ' VAL . 75.6 mt -61.7 -45.03 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.088 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.04 -40.04 88.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.487 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.866 -179.566 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.144 0.497 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.122 -0.986 . . . . 0.0 109.905 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m 59.74 60.2 2.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 108.939 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -137.71 167.43 21.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.406 -0.809 . . . . 0.0 109.748 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.722 HD12 ' C ' ' Y' ' 5' ' ' ILE . 1.6 pp -118.84 156.51 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.515 ' C ' HD12 ' Y' ' 5' ' ' ILE . 87.0 m-20 -46.8 89.76 0.0 OUTLIER 'General case' 0 C--N 1.283 -2.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.38 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.544 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -79.86 -24.65 41.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.597 -0.689 . . . . 0.0 109.722 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.692 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -50.22 -38.18 39.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.925 -1.109 . . . . 0.0 109.078 -179.535 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.94 -39.98 83.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.945 . . . . 0.0 108.959 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.491 HD13 HG13 ' B' ' 80' ' ' VAL . 75.7 mt -61.51 -45.21 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.972 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.97 -39.95 87.4 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.0 109.564 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.81 -179.485 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.31 -40.03 89.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 108.872 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD22 ' OE1' ' B' ' 39' ' ' GLU . 6.6 tt -59.97 -22.73 62.9 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.122 -0.986 . . . . 0.0 110.705 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.04 -51.79 68.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.816 -1.178 . . . . 0.0 110.405 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.67 -33.66 66.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.757 -1.214 . . . . 0.0 108.77 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.01 94.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.0 ttm -60.4 -40.04 89.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.294 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.01 -40.08 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.51 -46.17 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.318 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.16 -40.32 95.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.038 -1.039 . . . . 0.0 109.403 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.07 -47.19 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.031 -1.043 . . . . 0.0 109.561 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.99 -40.02 75.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.822 -1.174 . . . . 0.0 109.867 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' ALA . 38.3 t -58.94 -36.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.99 -48.54 81.28 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.435 -0.791 . . . . 0.0 109.551 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -70.0 -31.87 69.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.58 -0.7 . . . . 0.0 111.718 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.99 -43.94 94.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.925 -1.109 . . . . 0.0 111.155 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 35' ' ' LEU . 97.5 m-85 -94.47 -31.04 14.13 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.816 -1.177 . . . . 0.0 110.346 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 45.5 t -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 109.285 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.51 2.86 65.43 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.235 -1.156 . . . . 0.0 108.912 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' GLY . 81.1 tt0 -144.52 168.67 19.58 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -51.0 -173.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.024 -1.231 . . . . 0.0 110.024 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 26' ' ' LYS . 74.0 m-20 56.45 52.46 9.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.318 -1.107 . . . . 0.0 108.913 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 97.9 mttt -60.03 -32.5 70.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.445 -0.785 . . . . 0.0 110.336 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.97 -19.94 62.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 110.371 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.3 mttt -129.71 153.37 48.23 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.198 -0.939 . . . . 0.0 109.668 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.4 mt -113.41 128.75 56.56 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LYS . 38.0 ttpt -92.81 156.52 16.94 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 33.7 mtmt -42.77 -42.0 3.41 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.318 -0.864 . . . . 0.0 109.842 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -63.55 -40.03 95.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.277 -0.889 . . . . 0.0 109.726 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.76 -39.96 76.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.057 -1.027 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD22 ' SD ' ' A' ' 57' ' ' MET . 22.2 tp -70.02 -29.01 65.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.052 -1.03 . . . . 0.0 108.7 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.56 -40.04 81.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.236 -0.915 . . . . 0.0 108.611 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -57.9 -53.79 54.27 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.939 0.876 . . . . 0.0 108.949 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.97 -42.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.205 -0.935 . . . . 0.0 112.273 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -73.6 -30.18 62.84 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.157 -1.589 . . . . 0.0 111.537 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 m-20 -90.94 -17.2 26.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.031 -1.043 . . . . 0.0 110.666 -177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -107.6 -30.09 8.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.7 mt -113.32 32.41 5.78 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.282 -0.886 . . . . 0.0 108.727 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' LEU . 68.5 m -43.44 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.321 -0.862 . . . . 0.0 111.035 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -101.99 -16.7 16.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.202 -0.936 . . . . 0.0 110.27 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.32 -30.03 70.83 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.186 -0.947 . . . . 0.0 109.147 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD22 ' HE1' ' X' ' 7' ' ' TRP . 5.9 mt -141.6 -158.82 0.9 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.359 -0.838 . . . . 0.0 108.85 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 1.1 tm-20 -49.26 138.47 12.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.027 -1.046 . . . . 0.0 109.854 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 17.5 pt-20 -103.68 128.24 51.04 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' A' ' 52' ' ' VAL . 44.4 mm -94.49 112.86 27.89 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.964 0.887 . . . . 0.0 110.035 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 -12.37 6.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.8 tp10 -124.19 140.05 53.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -66.9 -21.81 65.98 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.056 -1.027 . . . . 0.0 110.134 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.9 pt-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.329 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' A' ' 47' ' ' ILE . 29.8 t -61.52 -50.01 82.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.31 -42.47 90.78 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.037 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.156 -1.018 . . . . 0.0 108.968 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -68.01 -39.47 83.19 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' VAL . 44.3 t -70.02 -36.74 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 62.2 mmm -70.54 -39.9 73.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.07 -26.93 65.05 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -71.78 -38.44 70.31 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.403 0.621 . . . . 0.0 109.469 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.55 -60.41 1.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.1 t0 -74.86 57.15 0.77 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.21 2.76 1.44 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.6 m-20 -76.7 -32.11 57.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 10.62 79.26 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 54.5 p-10 -83.75 2.84 36.01 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.57 33.84 86.34 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.7 tp10 -142.27 143.04 32.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.569 -0.959 . . . . 0.0 110.373 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 t -126.72 124.44 39.78 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 41.0 p-10 -88.49 172.82 9.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 108.851 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 29.5 p90 -58.3 -40.03 80.89 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.089 -1.007 . . . . 0.0 109.179 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 54.6 tt0 -60.04 -42.64 94.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.132 -0.98 . . . . 0.0 109.401 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 81.5 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.988 -1.07 . . . . 0.0 109.971 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.28 -39.91 88.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.266 -0.896 . . . . 0.0 109.954 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.0 mmm -60.02 -34.8 73.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 0.0 108.905 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -27.91 68.19 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.99 -41.66 92.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.998 -1.064 . . . . 0.0 108.638 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.57 -44.15 98.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 t -60.05 -47.89 83.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.489 0.662 . . . . 0.0 109.442 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.18 -45.11 95.94 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.767 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.85 -29.61 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.78 -1.2 . . . . 0.0 108.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 73.1 m -67.59 -40.0 84.81 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -67.58 -40.03 84.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.62 -0.675 . . . . 0.0 109.845 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.36 98.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.859 -1.151 . . . . 0.0 109.192 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 55.9 m -64.84 -47.13 79.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.324 -0.86 . . . . 0.0 109.041 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -60.03 -40.9 90.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.754 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.9 -39.99 91.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.11 107.03 0.8 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.912 -1.118 . . . . 0.0 108.499 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -96.84 -159.14 0.71 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.375 -0.828 . . . . 0.0 109.374 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -97.2 111.12 23.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 109.97 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -60.28 -41.05 92.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.571 -0.706 . . . . 0.0 109.928 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.558 -179.831 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.172 0.511 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.4 -39.96 89.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.945 . . . . 0.0 108.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.472 HD22 ' OE1' ' A' ' 39' ' ' GLU . 6.6 tt -60.05 -22.75 63.08 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 110.691 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.9 -51.96 67.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 110.446 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.61 66.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.724 -1.235 . . . . 0.0 108.785 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.2 95.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -0.847 . . . . 0.0 109.484 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.15 -40.07 88.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.081 -1.012 . . . . 0.0 109.335 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.94 -40.33 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.19 -46.58 86.42 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.95 -40.2 94.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.21 -46.95 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.008 -1.058 . . . . 0.0 109.606 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.788 -1.195 . . . . 0.0 109.933 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 9' ' ' ALA . 39.5 t -59.01 -36.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.98 -48.67 80.77 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.546 -0.721 . . . . 0.0 109.517 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -70.0 -31.7 69.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.633 -0.667 . . . . 0.0 111.723 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -44.19 94.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.112 . . . . 0.0 111.045 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.526 ' CD2' HD22 ' B' ' 35' ' ' LEU . 97.4 m-85 -94.33 -30.86 14.3 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.81 -1.181 . . . . 0.0 110.437 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 45.1 t -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.62 3.0 65.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -1.168 . . . . 0.0 108.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLY . 81.1 tt0 -144.42 168.5 19.95 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -50.75 -173.44 0.01 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.8 m-20 56.18 52.23 10.59 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -1.099 . . . . 0.0 109.045 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 18' ' ' SER . 97.8 mttt -59.98 -32.19 70.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.11 -19.92 62.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.121 -0.987 . . . . 0.0 110.328 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 23' ' ' ASP . 99.0 mttt -129.79 153.41 48.26 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.152 -0.968 . . . . 0.0 109.703 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -113.54 128.64 56.51 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' B' ' 29' ' ' LYS . 38.0 ttpt -92.61 156.52 17.05 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 33.4 mtmt -43.02 -41.73 3.56 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.303 -0.873 . . . . 0.0 109.773 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -63.64 -40.03 95.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.721 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.489 HD22 ' SD ' ' B' ' 57' ' ' MET . 22.9 tp -69.96 -29.06 66.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.065 -1.022 . . . . 0.0 108.714 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.63 -40.04 82.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -65.57 -39.98 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -57.81 -53.81 54.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.899 0.856 . . . . 0.0 108.956 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.04 -42.61 79.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.272 -0.892 . . . . 0.0 112.308 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -74.06 -29.99 62.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.155 -1.591 . . . . 0.0 111.431 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 3.3 m-20 -90.94 -17.2 26.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.022 -1.049 . . . . 0.0 110.605 -177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.454 ' OE1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -107.55 -30.12 8.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 109.399 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -113.27 32.35 5.82 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.24 -0.912 . . . . 0.0 108.779 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -43.18 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.312 -0.868 . . . . 0.0 111.092 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.21 -16.27 16.39 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.14 -0.975 . . . . 0.0 110.287 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.85 -30.07 70.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.047 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.45 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 5.7 mt -141.37 -158.83 0.9 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 1.1 tm-20 -49.21 138.26 12.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.977 -1.077 . . . . 0.0 109.837 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 17.6 pt-20 -103.52 128.27 50.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -94.6 112.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.212 0 CA-C-O 121.941 0.877 . . . . 0.0 110.17 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -12.11 6.79 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.5 tp10 -124.3 139.98 53.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -67.15 -21.8 65.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 110.078 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.8 pt-20 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -0.876 . . . . 0.0 109.317 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' B' ' 47' ' ' ILE . 34.2 t -61.69 -49.98 82.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.27 -42.33 90.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.043 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -68.36 -45.1 73.71 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.893 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -67.69 -39.32 84.45 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 52' ' ' VAL . 42.2 t -69.98 -37.01 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.34 -40.0 74.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.03 -26.45 64.58 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -72.18 -38.59 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.42 0.629 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.22 -60.85 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.8 t0 -74.57 57.23 0.72 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.28 2.57 1.58 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.8 m-20 -76.42 -31.99 58.24 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.43 10.57 79.6 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.631 -2.187 . . . . 0.0 107.631 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.4 p-10 -83.64 2.49 37.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.89 33.36 85.18 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.7 tp10 -141.83 143.21 33.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.626 -0.926 . . . . 0.0 110.359 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.05 124.58 39.63 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 41.2 p-10 -88.43 172.88 9.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 108.796 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.9 p90 -58.31 -40.27 81.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 109.225 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 55.2 tt0 -59.96 -42.68 94.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 109.396 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 81.2 mt-10 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.948 -1.095 . . . . 0.0 109.928 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.17 -40.02 88.47 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.98 -34.64 73.58 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.032 . . . . 0.0 109.054 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.88 67.99 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 109.648 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.98 -41.76 92.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.962 -1.086 . . . . 0.0 108.589 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -61.54 -44.1 98.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -60.09 -47.74 84.61 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.503 0.668 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.7 ttp -61.23 -45.22 95.44 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.437 -0.789 . . . . 0.0 110.741 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -79.85 -29.16 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.767 -1.208 . . . . 0.0 108.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' B' ' 77' ' ' VAL . 73.7 m -68.01 -40.04 83.07 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.0 p -67.34 -40.13 85.86 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.728 -0.607 . . . . 0.0 109.797 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.32 98.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.863 -1.148 . . . . 0.0 109.23 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 47.2 m -64.94 -46.95 79.43 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.29 -0.881 . . . . 0.0 109.02 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.804 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.79 -39.95 90.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.26 106.96 0.81 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.905 -1.122 . . . . 0.0 108.523 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -96.82 -159.32 0.73 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.303 -0.873 . . . . 0.0 109.303 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -96.87 111.05 23.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.525 -0.734 . . . . 0.0 109.969 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -60.22 -40.9 91.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.522 -0.737 . . . . 0.0 109.993 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.599 -179.692 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.416 0.627 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 51.96 40.1 27.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.813 . . . . 0.0 109.78 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -124.74 11.61 8.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.418 -0.801 . . . . 0.0 109.07 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -69.96 146.29 51.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.517 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.9 pp -101.44 -163.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.365 -0.834 . . . . 0.0 109.664 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.517 ' N ' HD12 ' X' ' 5' ' ' ILE . 8.8 p-10 -80.01 69.11 6.32 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.776 0.798 . . . . 0.0 110.872 -177.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.482 ' HE1' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.5 -24.76 61.21 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.015 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -54.74 -39.97 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.722 -1.236 . . . . 0.0 108.707 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -62.89 -40.03 96.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 108.884 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' X' ' 7' ' ' TRP . 91.1 mt -60.74 -40.1 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.47 -0.769 . . . . 0.0 110.944 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.98 -40.06 87.82 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.036 -1.04 . . . . 0.0 109.068 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.301 -1.506 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.582 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.313 0.577 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 52.04 40.07 27.65 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.361 -0.837 . . . . 0.0 109.747 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 2.8 t -124.62 11.41 8.53 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.454 -0.779 . . . . 0.0 109.085 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -70.0 146.25 51.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.37 -0.831 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.514 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.9 pp -101.34 -162.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.386 -0.821 . . . . 0.0 109.753 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.514 ' N ' HD12 ' Y' ' 5' ' ' ILE . 8.8 p-10 -80.34 69.16 6.73 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.799 0.809 . . . . 0.0 110.813 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.45 ' HE1' HD22 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -72.51 -24.79 61.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.949 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -54.71 -40.0 68.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.715 -1.24 . . . . 0.0 108.716 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -62.87 -39.99 96.13 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 108.869 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 93.9 mt -60.83 -40.14 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.486 -0.759 . . . . 0.0 110.989 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.896 -1.127 . . . . 0.0 109.233 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.3 -1.563 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.544 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.208 0.528 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.2 -39.61 95.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.203 -0.936 . . . . 0.0 108.96 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.42 -27.0 68.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.957 -1.089 . . . . 0.0 110.344 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 86.4 tt0 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.997 -1.064 . . . . 0.0 110.556 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.95 -39.2 79.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.776 -1.203 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.27 97.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.206 -0.934 . . . . 0.0 109.955 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.95 -42.74 94.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.907 -1.12 . . . . 0.0 109.365 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.96 -40.02 81.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.16 -45.25 94.24 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.634 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.87 -40.43 95.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.805 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.11 -45.03 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.0 109.727 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -70.02 -40.07 75.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.085 -1.01 . . . . 0.0 110.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' ALA . 48.1 t -57.97 -34.15 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 74.8 t80 -60.01 -47.15 87.02 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.234 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.15 -37.83 75.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.565 -0.71 . . . . 0.0 112.305 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -59.96 -42.03 93.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.784 -1.197 . . . . 0.0 112.349 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.16 -33.78 11.92 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.661 -1.274 . . . . 0.0 110.83 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.3 p -60.57 -40.0 90.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.818 -1.176 . . . . 0.0 110.198 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 4.02 64.57 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -60.01 -47.53 85.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -1.173 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 91.6 mt-10 -150.03 165.14 33.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.083 -1.011 . . . . 0.0 110.192 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.01 -156.13 1.51 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -79.47 146.35 32.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -1.024 . . . . 0.0 109.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -79.92 -9.11 59.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.31 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.18 -25.67 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.955 -1.091 . . . . 0.0 110.99 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -131.39 153.9 49.19 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.095 -1.003 . . . . 0.0 110.07 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -115.33 126.31 54.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.522 -0.736 . . . . 0.0 109.672 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.6 tttp -96.64 152.14 18.93 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.177 -0.952 . . . . 0.0 108.86 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 10.3 ttmm -35.29 -49.86 0.52 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.915 -0.491 . . . . 0.0 110.668 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -60.76 -40.44 92.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.946 -1.097 . . . . 0.0 110.452 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.0 mt-10 -70.04 -40.0 75.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.705 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' LEU . 13.7 tp -64.85 -40.02 94.49 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.874 -1.141 . . . . 0.0 108.15 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -48.91 -40.91 31.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 0.0 108.74 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -62.27 -40.77 97.31 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -60.05 -47.7 84.77 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 47' ' ' ILE . 5.1 mm -71.98 -48.74 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 111.606 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 42.0 p30 -74.94 -21.29 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.249 -1.532 . . . . 0.0 111.897 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 34.9 t-20 -91.06 -52.09 5.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.868 -1.145 . . . . 0.0 111.132 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' C ' HD22 ' A' ' 40' ' ' LEU . 98.6 mt-10 -85.49 -39.97 16.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.033 -1.042 . . . . 0.0 111.51 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 40' ' ' LEU . 1.8 mm? -97.85 24.52 6.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.273 -0.892 . . . . 0.0 108.753 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 40' ' ' LEU . 48.9 m -41.73 -103.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.487 0.66 . . . . 0.0 111.775 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 49.9 t-80 -97.28 -8.26 30.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.952 -1.093 . . . . 0.0 110.11 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.517 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 68.1 m-85 -65.84 -38.73 89.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 110.085 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 4.7 tp -126.75 -57.17 1.36 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.388 -0.82 . . . . 0.0 110.119 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' LEU . 9.1 tm-20 -143.22 125.11 15.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.006 -1.059 . . . . 0.0 110.06 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -90.07 119.97 30.87 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 HG21 ' A' ' 36' ' ' ILE . 6.7 mm -88.79 120.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.415 1.102 . . . . 0.0 109.864 -177.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.676 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -127.36 -19.17 4.31 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -121.71 146.52 46.95 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.718 . . . . 0.0 110.482 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.99 -20.03 63.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.4 pt-20 -60.02 -41.87 93.09 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.551 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.6 t -61.3 -50.07 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.3 t -61.11 -47.94 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.111 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.38 -44.25 95.81 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.934 -1.104 . . . . 0.0 109.571 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 59' ' ' THR . 80.0 mttt -70.01 -39.8 75.61 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 52' ' ' VAL . 54.5 t -73.83 -33.74 38.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-O 121.698 0.761 . . . . 0.0 109.092 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.4 tpt -71.4 -42.88 67.78 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.44 -31.14 71.08 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 10.4 m -64.2 -29.06 70.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.7 mt -106.56 -40.32 5.59 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' ASP . 15.3 t0 -74.71 49.95 0.42 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -67.88 8.65 0.37 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' ASP . 93.8 m-20 -92.29 -24.15 19.06 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.01 6.32 89.55 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 40.0 p-10 -93.78 7.56 44.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.039 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.16 37.15 91.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.11 155.6 44.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.372 -1.075 . . . . 0.0 110.04 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.9 t -131.64 118.8 20.54 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -85.76 170.85 12.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 110.201 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -47.41 -48.04 26.4 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.74 -39.99 95.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.295 -0.878 . . . . 0.0 109.853 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 47.0 mt-10 -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.995 . . . . 0.0 109.986 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 11.8 t80 -69.92 -37.37 75.91 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.02 -32.46 70.9 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.34 65.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.12 -0.988 . . . . 0.0 109.281 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 80' ' ' VAL . 86.5 t80 -59.98 -40.32 88.7 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -64.14 -47.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -60.07 -48.87 79.93 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.417 0.627 . . . . 0.0 110.281 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HG23 ' X' ' 10' ' ' ILE . 13.8 tmm? -63.34 -42.13 98.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.571 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 76' ' ' PHE . 19.0 t -81.16 -29.65 11.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.989 -1.069 . . . . 0.0 109.174 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 53.9 m -65.44 -40.02 92.75 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.946 -1.096 . . . . 0.0 108.434 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 p -70.19 -39.51 75.18 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.605 -0.684 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.01 -45.76 91.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.978 -1.076 . . . . 0.0 110.426 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.8 p -66.8 -44.41 81.3 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.666 -1.271 . . . . 0.0 108.564 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -61.38 -40.36 94.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 109.613 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.0 -15.74 61.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -39.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.069 . . . . 0.0 109.636 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.4 140.0 55.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 54.35 75.21 0.3 Allowed 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -59.94 -40.05 87.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.473 -0.767 . . . . 0.0 110.181 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.342 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.12 -39.94 96.15 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.199 -0.938 . . . . 0.0 109.014 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.32 -26.87 68.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 110.309 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.517 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.5 tt0 -60.03 -49.99 75.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.005 -1.059 . . . . 0.0 110.583 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -68.95 -39.41 79.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.736 -1.228 . . . . 0.0 109.594 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.52 98.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.28 -0.888 . . . . 0.0 110.029 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.5 ttm -60.01 -42.71 94.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.88 -1.137 . . . . 0.0 109.427 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -40.0 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -62.02 -45.05 95.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.621 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.26 -40.21 95.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.945 . . . . 0.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.47 -44.85 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.194 -0.941 . . . . 0.0 109.664 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -69.98 -40.0 75.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.115 -0.991 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 9' ' ' ALA . 50.2 t -57.96 -34.33 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.968 -1.083 . . . . 0.0 108.154 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 74.8 t80 -60.05 -47.07 87.38 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.168 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.16 -37.85 75.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.511 -0.743 . . . . 0.0 112.259 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.03 -41.93 93.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.73 -1.231 . . . . 0.0 112.353 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.19 -33.69 11.93 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.695 -1.253 . . . . 0.0 110.842 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -60.63 -40.01 90.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.883 -1.136 . . . . 0.0 110.124 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.34 4.06 64.78 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -60.02 -47.49 85.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.284 -1.127 . . . . 0.0 109.471 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 91.6 mt-10 -150.0 165.1 33.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.002 -1.061 . . . . 0.0 110.216 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.94 -155.98 1.52 Allowed Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.54 146.23 32.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -1.059 . . . . 0.0 109.532 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -79.97 -9.03 59.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 110.203 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.13 -25.68 60.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.95 -1.094 . . . . 0.0 111.012 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -131.41 153.88 49.24 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.053 -1.03 . . . . 0.0 110.02 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.8 mt -115.35 126.32 54.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.573 -0.704 . . . . 0.0 109.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' B' ' 29' ' ' LYS . 25.1 tttp -96.7 152.07 19.02 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.191 -0.943 . . . . 0.0 108.82 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 28' ' ' LYS . 10.7 ttmm -35.12 -49.92 0.49 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.963 -0.461 . . . . 0.0 110.72 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.68 -40.46 92.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.934 -1.103 . . . . 0.0 110.445 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 28' ' ' LYS . 97.9 mt-10 -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 109.762 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' B' ' 35' ' ' LEU . 13.1 tp -64.87 -40.01 94.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.977 -1.077 . . . . 0.0 108.189 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -48.93 -40.82 31.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.922 . . . . 0.0 108.807 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -62.26 -40.71 97.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -60.04 -47.66 84.95 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.535 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.511 HG21 HD11 ' B' ' 47' ' ' ILE . 5.1 mm -72.15 -48.61 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.909 -1.12 . . . . 0.0 111.548 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 42.1 p30 -75.13 -21.27 58.96 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.286 -1.508 . . . . 0.0 111.805 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 35.1 t-20 -91.07 -52.09 5.01 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.875 -1.14 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.481 ' C ' HD22 ' B' ' 40' ' ' LEU . 98.8 mt-10 -85.49 -39.96 16.88 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.007 -1.058 . . . . 0.0 111.589 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.732 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.9 mm? -97.8 24.41 6.89 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.285 -0.884 . . . . 0.0 108.753 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.475 ' O ' ' O ' ' B' ' 40' ' ' LEU . 50.6 m -41.81 -103.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.423 0.63 . . . . 0.0 111.805 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 42' ' ' HIS . 49.8 t-80 -97.14 -8.16 30.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.985 -1.072 . . . . 0.0 110.113 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 68.0 m-85 -66.06 -38.44 88.32 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.063 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.646 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 4.7 tp -127.07 -57.17 1.32 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.168 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 40' ' ' LEU . 9.0 tm-20 -142.92 125.02 15.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.961 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -90.13 120.02 30.95 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.511 HD11 HG21 ' B' ' 36' ' ' ILE . 6.9 mm -88.7 119.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-O 122.431 1.11 . . . . 0.0 109.966 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.67 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -127.35 -19.13 4.32 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -121.8 146.6 46.91 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.64 0.733 . . . . 0.0 110.388 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.01 -20.0 63.29 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.512 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.421 HG23 ' H ' ' B' ' 52' ' ' VAL . 1.6 t -61.2 -50.11 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -61.05 -48.09 90.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.131 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.36 -44.31 95.69 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.889 -1.132 . . . . 0.0 109.557 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.99 -39.69 75.75 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.981 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.5 t -73.72 -33.98 39.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 121.608 0.718 . . . . 0.0 109.089 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.556 ' N ' ' O ' ' B' ' 53' ' ' VAL . 13.6 tpt -71.22 -42.94 68.27 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.42 -31.15 71.07 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.6 m -64.22 -29.01 70.14 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 34.8 mt -106.52 -40.46 5.56 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 63' ' ' ASP . 15.3 t0 -74.83 50.04 0.44 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.95 8.76 0.36 Allowed 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.9 m-20 -92.44 -24.16 18.92 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.99 6.23 89.61 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 40.2 p-10 -93.74 7.67 43.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -1.05 . . . . 0.0 109.025 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.407 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.01 37.2 91.89 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.97 155.45 44.04 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.404 -1.056 . . . . 0.0 110.112 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.3 t -131.53 118.88 20.75 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.83 170.83 12.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.071 -1.018 . . . . 0.0 110.197 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.632 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -47.4 -48.12 26.28 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.77 -39.99 95.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.769 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.8 mt-10 -69.99 -41.59 74.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.1 -1.0 . . . . 0.0 109.956 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.593 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 12.2 t80 -69.65 -37.53 76.78 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 18.4 tpt -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.39 65.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.373 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.516 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.7 t80 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.18 -48.06 87.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.3 p -60.03 -49.07 79.11 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.418 0.628 . . . . 0.0 110.271 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.709 ' SD ' HG23 ' Y' ' 10' ' ' ILE . 13.7 tmm? -63.37 -41.95 98.83 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 110.589 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 76' ' ' PHE . 18.3 t -81.22 -29.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.07 -1.019 . . . . 0.0 109.096 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 51.7 m -65.34 -39.94 93.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.031 -1.043 . . . . 0.0 108.499 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -70.38 -39.37 74.59 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.677 -0.639 . . . . 0.0 109.968 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -60.03 -45.88 91.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.933 -1.104 . . . . 0.0 110.349 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 -44.65 81.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.727 -1.233 . . . . 0.0 108.57 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -61.12 -40.63 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 0.0 109.566 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.89 -15.66 61.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.95 -40.03 87.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.905 -1.122 . . . . 0.0 109.616 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -68.26 139.98 56.0 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 54.31 75.2 0.3 Allowed 'General case' 0 C--N 1.284 -2.259 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -59.95 -40.01 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 110.222 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.372 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -100.0 119.9 38.98 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.256 -0.903 . . . . 0.0 109.51 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -163.82 133.4 4.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -0.865 . . . . 0.0 109.565 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -163.02 159.96 23.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 0.0 108.853 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.403 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.2 pp -100.09 -161.23 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.159 -0.963 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.403 ' N ' HD12 ' X' ' 5' ' ' ILE . 16.3 p-10 -88.86 60.59 5.57 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.505 -0.747 . . . . 0.0 110.837 -178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.566 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.85 -24.92 66.2 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.21 -40.02 84.49 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.36 -40.42 97.22 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.706 HG23 ' SD ' ' A' ' 79' ' ' MET . 80.3 mt -63.05 -40.12 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.848 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER -59.85 -39.95 86.88 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.355 179.559 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -100.03 120.03 39.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.344 -0.848 . . . . 0.0 109.473 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -164.09 132.77 3.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.415 -0.803 . . . . 0.0 109.597 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -162.35 159.98 26.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.853 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.416 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.3 pp -100.11 -161.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 109.218 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.416 ' N ' HD12 ' Y' ' 5' ' ' ILE . 16.3 p-10 -88.95 60.62 5.55 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.463 -0.773 . . . . 0.0 110.866 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.646 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -66.91 -24.85 66.14 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.23 -39.97 84.39 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -63.48 -40.23 96.57 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.709 HG23 ' SD ' ' B' ' 79' ' ' MET . 81.6 mt -63.17 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.791 . . . . 0.0 109.886 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.04 -39.35 85.63 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.28 179.505 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.369 0.604 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.35 -40.01 89.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.0 -31.78 70.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.088 -1.008 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' OE2' ' CG ' ' B' ' 43' ' ' PHE . 86.3 tt0 -60.0 -51.77 68.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.64 72.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.654 -1.278 . . . . 0.0 109.09 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.99 96.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.362 -0.836 . . . . 0.0 109.305 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.1 ttm -60.06 -38.43 82.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.491 -0.755 . . . . 0.0 109.675 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.87 -39.97 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.09 -42.02 99.52 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.68 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' B' ' 10' ' ' LEU . 91.1 mt -63.27 -39.98 96.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.285 -0.884 . . . . 0.0 110.004 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.45 -40.06 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.089 -1.007 . . . . 0.0 109.605 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -70.06 -39.56 75.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.981 -1.074 . . . . 0.0 109.512 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.8 t -59.3 -37.97 72.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -54.17 -50.03 67.94 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.028 -1.045 . . . . 0.0 109.729 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 15' ' ' HIS . 35.2 t-80 -79.06 -24.67 43.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.273 -0.892 . . . . 0.0 111.29 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.99 -44.53 94.44 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.045 -1.035 . . . . 0.0 111.62 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CD2' HD23 ' A' ' 35' ' ' LEU . 31.8 p90 -105.33 -29.32 10.35 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.893 -1.129 . . . . 0.0 111.157 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 t -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.841 -1.162 . . . . 0.0 109.858 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.47 64.1 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 20' ' ' ARG . 36.1 ttt-85 -62.17 -47.73 83.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.879 -1.365 . . . . 0.0 109.233 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 95.5 mt-10 -149.84 159.98 43.94 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.402 -0.811 . . . . 0.0 109.495 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.0 -171.02 32.35 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -81.96 158.08 24.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.44 -1.036 . . . . 0.0 109.386 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' NZ ' ' CD2' ' A' ' 15' ' ' HIS . 49.1 mtpt -80.0 -10.34 59.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.03 -35.7 64.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.512 -0.742 . . . . 0.0 110.665 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -130.03 157.96 40.92 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.242 -0.911 . . . . 0.0 110.58 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -119.58 126.29 50.84 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -84.72 158.58 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 108.909 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -50.92 -37.31 43.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.736 -1.227 . . . . 0.0 108.439 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.2 p -62.89 -42.82 99.91 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.385 -0.822 . . . . 0.0 109.703 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 84.7 mt-10 -70.0 -40.01 75.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.78 -32.75 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 0.0 108.204 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.07 -40.05 84.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -65.89 -41.51 91.44 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -60.02 -50.0 75.44 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.624 -0.672 . . . . 0.0 109.488 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.01 -40.19 67.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.594 -1.316 . . . . 0.0 110.692 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -75.57 -25.47 57.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.351 -1.468 . . . . 0.0 110.697 -178.59 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 54.8 t-20 -89.71 -30.02 18.34 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.923 -1.111 . . . . 0.0 111.061 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 13.8 mp0 -95.53 -20.07 19.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.218 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 41' ' ' SER . 14.1 mt -112.89 56.97 0.67 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.102 -0.999 . . . . 0.0 108.465 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 40' ' ' LEU . 22.7 t -49.07 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -111.93 -4.03 14.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.359 -0.838 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 87.0 m-85 -69.99 -29.97 67.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.392 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD22 ' HE1' ' X' ' 7' ' ' TRP . 7.7 mt -136.52 -159.32 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 138.38 11.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.117 -0.989 . . . . 0.0 110.261 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 41' ' ' SER . 18.0 tp10 -99.62 120.13 39.18 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 mm -92.84 118.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 122.197 0.999 . . . . 0.0 109.464 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.76 -10.77 1.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -122.93 149.35 44.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.631 -0.668 . . . . 0.0 110.0 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.2 -22.79 62.89 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 8.2 pt-20 -60.03 -43.12 95.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.484 -0.76 . . . . 0.0 110.478 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 47' ' ' ILE . 36.3 t -63.66 -46.86 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' MET . 39.6 t -59.99 -45.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.726 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -61.95 -46.89 87.31 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.618 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -69.38 -38.5 78.05 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.74 -36.79 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.1 mmm -70.02 -41.03 74.85 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.15 -31.05 71.49 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.334 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.26 -54.39 2.62 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' MET . 27.7 t0 -82.29 58.22 3.96 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.74 2.07 2.14 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.997 0.903 . . . . 0.0 108.743 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -73.67 -34.02 64.73 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 10.05 84.2 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 106.896 -2.481 . . . . 0.0 106.896 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.2 p-10 -79.65 1.4 26.39 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.93 76.58 Favored Glycine 0 N--CA 1.485 1.921 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.2 mt-10 -142.88 153.48 43.19 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.513 -0.993 . . . . 0.0 110.171 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 1.3 t -130.05 123.04 29.54 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -81.17 165.45 21.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.111 -0.993 . . . . 0.0 109.173 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.64 -40.02 62.35 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.025 -1.047 . . . . 0.0 108.905 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.25 -40.7 97.05 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.08 -1.012 . . . . 0.0 109.494 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -70.12 -40.32 74.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.981 -1.074 . . . . 0.0 109.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.513 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.7 t80 -65.93 -39.99 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.2 -32.62 71.26 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.78 65.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.291 -0.881 . . . . 0.0 110.305 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.88 -40.68 89.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.883 -1.135 . . . . 0.0 108.248 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -62.13 -49.78 82.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 108.467 179.186 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.9 p -63.67 -41.97 98.11 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.413 0.625 . . . . 0.0 109.932 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 ttp -60.96 -45.17 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.823 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 t -80.04 -28.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.325 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.1 m -60.48 -40.05 89.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.766 -1.209 . . . . 0.0 109.132 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -67.27 -39.98 86.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.606 -0.684 . . . . 0.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.0 -42.13 93.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.272 -0.893 . . . . 0.0 109.703 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.48 -40.02 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.118 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.533 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 11.7 t-160 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.425 -0.797 . . . . 0.0 109.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 72.4 mm-40 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.045 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -55.87 98.92 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.114 -0.991 . . . . 0.0 109.037 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' O ' ' A' ' 85' ' ' HIS . 60.1 m-85 -115.46 -40.49 3.4 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -106.18 123.58 48.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.506 -0.746 . . . . 0.0 109.884 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -60.1 -39.96 87.99 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.735 -0.603 . . . . 0.0 109.836 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.693 -179.229 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.333 0.587 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.05 88.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.282 -0.886 . . . . 0.0 109.308 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.04 -31.69 70.21 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.046 -1.034 . . . . 0.0 110.763 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE2' ' CG ' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.05 -51.78 68.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.966 -1.084 . . . . 0.0 110.733 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.9 72.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.645 -1.285 . . . . 0.0 109.051 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.0 95.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.366 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.98 -38.49 82.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.45 -0.781 . . . . 0.0 109.662 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.89 -39.96 81.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.09 -42.29 99.59 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.651 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' A' ' 10' ' ' LEU . 91.3 mt -63.11 -40.0 96.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.888 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.41 -40.07 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 0.0 109.6 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.99 -39.55 75.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.049 -1.032 . . . . 0.0 109.455 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 9' ' ' ALA . 55.5 t -59.28 -38.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -53.78 -49.98 67.08 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.07 -1.019 . . . . 0.0 109.799 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' B' ' 15' ' ' HIS . 35.3 t-80 -79.09 -24.72 43.26 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.224 -0.923 . . . . 0.0 111.339 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.96 -44.51 94.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.101 -0.999 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.549 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -105.31 -29.28 10.38 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.945 -1.097 . . . . 0.0 111.064 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.1 t -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.926 -1.109 . . . . 0.0 109.946 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.83 3.63 63.92 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.3 ttt-85 -62.25 -47.8 82.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.921 -1.341 . . . . 0.0 109.138 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 96.3 mt-10 -149.88 160.05 43.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.388 -0.82 . . . . 0.0 109.485 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.92 -171.52 31.07 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.32 158.05 24.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.443 -1.033 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' CD2' ' B' ' 15' ' ' HIS . 48.6 mtpt -80.01 -10.41 59.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -73.9 -35.78 64.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.437 -0.789 . . . . 0.0 110.685 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -129.99 157.81 41.32 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.238 -0.914 . . . . 0.0 110.65 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -119.54 126.2 50.66 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -84.54 158.82 20.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 108.832 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.24 -37.16 45.49 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.752 -1.217 . . . . 0.0 108.414 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -62.94 -42.85 99.94 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.399 -0.813 . . . . 0.0 109.69 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 85.8 mt-10 -69.95 -40.05 75.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.979 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.57 -33.03 73.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.96 -1.087 . . . . 0.0 108.121 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.79 -39.99 82.72 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -66.15 -41.41 90.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.706 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.01 -49.97 75.59 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.555 -0.716 . . . . 0.0 109.453 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.681 -1.262 . . . . 0.0 110.675 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -75.47 -25.37 57.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.445 -1.409 . . . . 0.0 110.701 -178.513 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 54.9 t-20 -89.83 -29.97 18.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.895 -1.128 . . . . 0.0 111.027 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 14.1 mp0 -95.67 -20.07 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.821 -1.174 . . . . 0.0 109.866 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.66 56.45 0.67 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.092 -1.005 . . . . 0.0 108.42 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.9 t -48.85 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -111.76 -4.13 14.75 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.47 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 87.0 m-85 -69.95 -30.04 67.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.765 . . . . 0.0 109.39 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.57 -159.38 0.95 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 138.31 10.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.129 -0.982 . . . . 0.0 110.27 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 41' ' ' SER . 18.0 tp10 -99.77 120.04 39.1 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.441 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.7 mm -92.71 118.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 122.171 0.986 . . . . 0.0 109.575 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.87 -10.68 1.55 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -123.1 149.31 44.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.647 -0.658 . . . . 0.0 110.059 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.17 -22.72 62.94 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 8.3 pt-20 -60.01 -43.1 95.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.482 -0.761 . . . . 0.0 110.41 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' B' ' 47' ' ' ILE . 35.6 t -63.62 -46.89 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.2 t -60.0 -45.43 95.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.803 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -62.03 -46.67 88.15 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.662 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.84 -38.26 76.44 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.61 -36.94 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.2 mmm -70.15 -40.67 74.61 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.57 -30.72 71.53 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -68.72 -40.07 80.1 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.283 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.47 -54.13 2.65 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 57' ' ' MET . 27.1 t0 -82.34 58.39 4.06 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.85 2.14 2.17 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.003 0.906 . . . . 0.0 108.736 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.1 m-20 -73.73 -34.05 64.61 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.39 10.1 84.01 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.2 p-10 -79.66 1.48 26.13 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.71 29.83 76.3 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.294 -1.922 . . . . 0.0 108.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.2 mt-10 -142.75 153.37 43.23 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.544 -0.974 . . . . 0.0 110.264 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 1.3 t -130.1 122.97 29.32 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.12 165.57 21.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.127 -0.983 . . . . 0.0 109.255 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.74 -40.07 62.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.001 -1.062 . . . . 0.0 108.929 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.2 -40.64 96.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.021 -1.05 . . . . 0.0 109.481 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.07 -40.47 75.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.969 -1.082 . . . . 0.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.51 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.7 t80 -65.84 -40.02 91.35 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.11 -32.75 71.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.74 65.78 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.307 -0.871 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.96 -40.96 90.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.88 -1.138 . . . . 0.0 108.11 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -49.86 82.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 108.532 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -63.79 -42.16 97.78 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.3 ttp -60.62 -45.2 94.94 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.866 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 t -80.0 -28.78 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.009 -1.057 . . . . 0.0 109.337 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -60.51 -39.98 89.76 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.753 -1.217 . . . . 0.0 109.144 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -67.24 -39.97 86.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.627 -0.67 . . . . 0.0 109.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -59.98 -42.16 93.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.68 -40.0 93.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.101 -0.999 . . . . 0.0 109.103 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.532 ' O ' ' CZ ' ' B' ' 88' ' ' PHE . 11.7 t-160 -59.99 -39.99 87.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.454 -0.779 . . . . 0.0 109.87 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 72.4 mm-40 -60.03 -39.99 87.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.291 -0.881 . . . . 0.0 110.087 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -55.86 99.13 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.159 -0.963 . . . . 0.0 109.041 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' O ' ' B' ' 85' ' ' HIS . 59.7 m-85 -115.69 -40.77 3.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.422 -0.799 . . . . 0.0 110.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -105.97 123.55 48.16 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.731 0.776 . . . . 0.0 109.84 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -60.01 -39.98 87.69 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.689 -0.632 . . . . 0.0 109.88 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.695 -179.162 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' X' ' 2' ' ' ARG . 4.0 ptm180 -101.12 139.19 37.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.363 -0.835 . . . . 0.0 109.342 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 74.3 p -133.26 158.39 43.04 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.77 . . . . 0.0 109.448 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -133.76 159.48 40.46 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.923 0.868 . . . . 0.0 110.287 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.619 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -91.18 162.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 178.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.537 ' C ' HD13 ' X' ' 5' ' ' ILE . 9.0 p-10 -65.78 66.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 122.079 0.943 . . . . 0.0 109.479 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.658 ' CD1' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -69.65 -24.73 63.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.676 -0.64 . . . . 0.0 109.757 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -51.63 -40.46 59.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.888 -1.133 . . . . 0.0 109.172 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -60.25 -39.97 88.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 108.661 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 83' ' ' ALA . 89.0 mt -63.24 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.023 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -39.98 87.82 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.417 -0.802 . . . . 0.0 108.907 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.657 -179.817 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' Y' ' 2' ' ' ARG . 4.0 ptm180 -101.1 139.12 37.23 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 109.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 75.3 p -133.08 158.5 42.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.477 -0.765 . . . . 0.0 109.403 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -133.95 159.42 40.79 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.906 0.86 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.618 HD11 ' HB1' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -91.11 162.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 178.633 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.537 ' C ' HD13 ' Y' ' 5' ' ' ILE . 9.1 p-10 -65.82 66.34 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 122.012 0.91 . . . . 0.0 109.464 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.662 ' CD1' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -69.6 -24.71 63.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.72 -0.613 . . . . 0.0 109.766 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -51.73 -40.36 60.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.878 -1.139 . . . . 0.0 109.106 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.13 -40.05 88.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 108.57 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' B' ' 83' ' ' ALA . 88.2 mt -63.34 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.366 -0.834 . . . . 0.0 110.06 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.02 -39.98 87.71 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 0.0 109.003 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.608 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.313 0.578 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -37.23 86.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.0 108.993 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.23 -24.05 67.53 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.965 -1.085 . . . . 0.0 110.824 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.711 -1.243 . . . . 0.0 110.058 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -33.33 71.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.2 . . . . 0.0 109.013 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.49 92.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 62.1 tpp -59.97 -40.69 89.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 0.0 109.039 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -40.12 82.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.78 96.05 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.515 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.13 -39.89 82.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.898 -1.126 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.71 -41.48 90.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.104 -0.998 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.88 -40.46 68.91 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 109.361 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 t -60.02 -32.02 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 56.4 t80 -60.01 -50.0 75.44 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.389 -0.925 . . . . 0.0 109.401 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -72.97 -27.9 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -0.947 . . . . 0.0 111.993 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.024 -1.047 . . . . 0.0 111.689 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.47 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 60.6 m-85 -117.01 -21.77 8.75 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.989 -1.069 . . . . 0.0 111.508 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 83.0 p -66.56 -36.71 83.33 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.438 -1.414 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.88 8.36 79.9 Favored Glycine 0 N--CA 1.495 2.594 0 C-N-CA 119.606 -1.283 . . . . 0.0 110.565 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -73.69 -40.02 63.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.677 -1.484 . . . . 0.0 109.65 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -147.72 153.02 38.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.27 -0.894 . . . . 0.0 109.111 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.88 -169.25 48.84 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -76.44 150.87 36.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.294 -1.121 . . . . 0.0 109.323 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.07 -39.07 88.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.697 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -79.94 -2.99 46.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.348 -0.845 . . . . 0.0 111.522 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.19 148.15 51.1 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.863 -1.148 . . . . 0.0 110.048 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.3 mt -120.01 112.26 18.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.626 -0.672 . . . . 0.0 109.28 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 24.4 ttpp -84.15 149.58 26.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.982 -1.074 . . . . 0.0 108.503 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.3 ptmt -40.41 -39.97 1.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.723 -0.61 . . . . 0.0 110.468 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.513 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -64.68 -44.37 90.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.176 -0.953 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 38.1 tt0 -69.32 -32.45 71.58 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.075 -1.016 . . . . 0.0 108.564 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.07 -36.04 79.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.622 -0.674 . . . . 0.0 109.297 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -59.94 -45.31 93.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.442 -0.786 . . . . 0.0 110.086 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.04 -34.44 73.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.039 -1.038 . . . . 0.0 109.693 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.02 -52.31 65.91 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.361 -0.837 . . . . 0.0 109.63 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.97 -43.73 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.01 -38.16 81.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.891 . . . . 0.0 110.979 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.4 t30 -82.75 -36.26 25.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.922 -1.111 . . . . 0.0 111.185 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -77.85 -40.74 39.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.361 -1.462 . . . . 0.0 108.496 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' SER . 11.8 mt -101.47 49.32 0.87 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 40' ' ' LEU . 24.7 m -47.25 -93.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.154 -0.966 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -116.59 -8.07 11.53 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.417 -0.802 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 108.716 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.75 -154.79 0.59 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -53.97 134.09 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.621 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 86.2 tt0 -106.81 122.29 46.1 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.04 109.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.966 0.889 . . . . 0.0 110.148 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -127.75 -8.04 5.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.9 tp10 -123.49 136.95 54.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.2 -23.4 67.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.257 -0.902 . . . . 0.0 109.955 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.4 pt-20 -59.74 -40.19 87.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.847 . . . . 0.0 110.067 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' VAL . 16.0 t -63.54 -49.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.0 t -59.94 -45.3 95.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.963 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -61.93 -46.11 90.78 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.143 -1.423 . . . . 0.0 108.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.13 -38.98 75.69 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.309 -0.87 . . . . 0.0 109.666 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' VAL . 41.8 t -76.48 -32.86 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-O 121.656 0.741 . . . . 0.0 109.092 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -70.66 -46.0 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.85 -31.45 72.64 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -69.58 -39.95 77.02 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.533 0.683 . . . . 0.0 109.432 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' O ' ' A' ' 72' ' ' GLU . 20.9 tp -91.12 -57.75 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 13.5 t0 -82.55 58.07 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -66.94 4.26 0.89 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.727 0.775 . . . . 0.0 109.247 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.9 m-20 -76.26 -26.72 56.25 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.39 10.05 85.81 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.7 p-10 -86.92 0.01 55.76 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.95 28.39 73.07 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 48.4 mt-10 -146.05 153.81 41.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.407 -1.055 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -129.84 126.51 38.2 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.106 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.37 170.05 16.48 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.883 -1.136 . . . . 0.0 109.095 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 32.8 p90 -57.14 -41.02 78.32 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.204 -0.999 . . . . 0.0 108.601 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 20.3 tm0? -59.97 -41.12 91.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.208 -0.932 . . . . 0.0 108.92 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' HD11 ' A' ' 60' ' ' LEU . 43.1 mt-10 -63.13 -40.05 96.47 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.308 -0.87 . . . . 0.0 109.053 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.03 -39.02 84.44 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.99 -34.16 72.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.14 71.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 110.577 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.0 -40.05 87.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.717 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.4 t -59.97 -40.0 81.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -59.92 -40.94 90.58 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.914 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -63.26 -46.47 86.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.93 -28.31 11.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -66.0 -40.06 90.82 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.037 -1.039 . . . . 0.0 108.676 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 p -74.7 -40.01 61.61 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.748 -0.595 . . . . 0.0 109.97 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' X' ' 5' ' ' ILE . . . -60.44 -40.53 91.45 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 0.0 109.745 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.79 -44.15 90.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.203 -0.936 . . . . 0.0 109.406 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -62.74 -40.12 96.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.413 -0.804 . . . . 0.0 109.868 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.12 -39.89 87.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.238 -0.914 . . . . 0.0 109.68 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.7 112.82 24.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.025 -1.047 . . . . 0.0 109.719 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -112.62 -19.24 12.15 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.047 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.519 ' N ' ' OE2' ' A' ' 89' ' ' GLU . 86.7 t60 -60.13 -40.03 88.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 0.0 109.25 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.426 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.317 0.579 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 108.945 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.72 -24.23 67.69 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.043 -1.035 . . . . 0.0 110.796 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -50.02 75.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.723 -1.236 . . . . 0.0 110.034 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.85 69.95 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.732 -1.23 . . . . 0.0 109.005 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.73 92.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 0.0 109.267 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.5 tpp -60.12 -40.75 90.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.902 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.07 -39.92 81.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.63 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.463 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.28 -40.02 81.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.138 . . . . 0.0 109.234 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.55 -41.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.127 -0.983 . . . . 0.0 109.097 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.73 -40.41 69.43 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.817 -1.177 . . . . 0.0 109.485 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.04 -32.14 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.81 -50.01 75.48 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.357 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -72.98 -27.86 62.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.198 -0.939 . . . . 0.0 112.065 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.92 -39.96 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.009 -1.057 . . . . 0.0 111.713 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 60.5 m-85 -117.28 -21.71 8.61 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.01 -1.056 . . . . 0.0 111.474 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 83.2 p -66.6 -36.75 83.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.534 -1.354 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.72 8.2 80.16 Favored Glycine 0 N--CA 1.495 2.615 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.618 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -73.5 -39.94 64.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.737 -1.449 . . . . 0.0 109.707 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -147.87 152.68 38.01 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.084 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.85 -169.22 48.79 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -76.49 150.78 36.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 109.295 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.02 -39.04 88.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 109.69 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -80.02 -3.0 46.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 111.448 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -129.27 148.25 51.18 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.903 -1.123 . . . . 0.0 110.115 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' B' ' 68' ' ' CYS . 20.6 mt -120.08 112.19 18.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.685 -0.634 . . . . 0.0 109.335 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' NZ ' ' OG ' ' B' ' 30' ' ' SER . 24.5 ttpp -83.96 149.63 26.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.908 -1.12 . . . . 0.0 108.553 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 17.2 ptmt -40.25 -39.93 1.03 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.47 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.531 ' OG ' ' NZ ' ' B' ' 28' ' ' LYS . 60.3 p -65.05 -44.02 90.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 110.265 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 38.0 tt0 -69.51 -32.54 71.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.047 -1.033 . . . . 0.0 108.541 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.04 -35.94 79.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.663 -0.648 . . . . 0.0 109.307 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.09 -45.43 92.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 0.0 109.969 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.05 -34.34 73.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -52.26 66.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.99 -43.63 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 110.181 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.04 -38.21 82.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.421 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.3 t30 -82.72 -36.15 26.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.915 -1.115 . . . . 0.0 111.25 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.93 -40.77 38.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.496 -1.377 . . . . 0.0 108.445 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 41' ' ' SER . 11.8 mt -101.49 49.32 0.87 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 40' ' ' LEU . 21.0 m -47.29 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -116.56 -8.28 11.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.422 -0.799 . . . . 0.0 109.515 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.98 -30.74 68.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.67 -154.6 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.21 134.42 44.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.107 . . . . 0.0 109.522 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' B' ' 48' ' ' LYS . 86.2 tt0 -106.96 122.79 47.13 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mm -92.5 109.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.044 0 CA-C-O 121.92 0.867 . . . . 0.0 110.033 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -127.62 -8.18 5.66 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.122 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 50.1 tp10 -123.31 136.93 54.91 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.13 -23.11 67.2 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.256 -0.903 . . . . 0.0 110.044 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.514 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -60.0 -40.25 88.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.378 -0.826 . . . . 0.0 110.008 -178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.4 t -63.51 -48.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 57' ' ' MET . 3.8 t -60.03 -45.23 95.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.072 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.98 -46.13 90.59 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.204 -1.398 . . . . 0.0 108.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.15 -38.88 75.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.36 -0.838 . . . . 0.0 109.748 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -76.65 -32.85 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-O 121.656 0.741 . . . . 0.0 109.045 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 53' ' ' VAL . 9.6 tpt -70.5 -46.21 64.14 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.92 -31.34 72.49 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.41 -39.86 77.65 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.561 0.696 . . . . 0.0 109.519 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.558 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.9 tp -91.24 -57.85 2.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 13.1 t0 -82.46 57.79 3.85 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -66.51 4.0 0.85 Allowed 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.727 0.775 . . . . 0.0 109.277 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.0 m-20 -76.11 -26.77 56.73 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 10.03 85.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.6 p-10 -86.94 -0.03 55.87 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.0 28.22 73.2 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.542 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 48.5 mt-10 -145.9 153.7 41.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.339 -1.095 . . . . 0.0 110.801 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -129.65 126.48 38.47 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.51 170.01 16.43 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.042 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 33.2 p90 -56.72 -41.43 77.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.113 -0.992 . . . . 0.0 108.554 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.549 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 20.4 tm0? -59.99 -40.97 90.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.96 . . . . 0.0 108.867 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.558 ' O ' HD11 ' B' ' 60' ' ' LEU . 43.1 mt-10 -63.22 -39.93 96.04 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.248 -0.908 . . . . 0.0 109.057 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.03 -38.98 84.31 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.2 tpt -60.06 -34.05 72.88 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.84 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.03 -40.13 88.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.85 -1.156 . . . . 0.0 108.837 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -59.99 -41.09 91.3 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.905 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtm -63.16 -46.57 86.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.114 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.79 -28.31 11.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.054 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.6 m -66.05 -39.94 90.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.118 -0.989 . . . . 0.0 108.798 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -74.78 -39.98 61.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 109.986 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' Y' ' 5' ' ' ILE . . . -60.46 -40.45 91.23 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.93 -44.05 90.75 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 109.444 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.89 -40.06 96.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 109.791 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.03 -39.95 87.65 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.341 -0.85 . . . . 0.0 110.569 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.932 . . . . 0.0 109.679 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.46 112.79 24.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.963 -1.085 . . . . 0.0 109.734 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -112.63 -19.19 12.16 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.526 ' N ' ' OE2' ' B' ' 89' ' ' GLU . 86.7 t60 -60.17 -40.02 88.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.317 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' X' ' 3' ' ' THR . 99.3 mtt180 -59.98 -51.03 71.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.261 -0.899 . . . . 0.0 109.571 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.489 ' C ' ' O ' ' X' ' 2' ' ' ARG . 7.6 p 31.38 -109.3 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.213 0 CA-C-O 121.524 0.678 . . . . 0.0 110.519 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' X' ' 2' ' ' ARG . 96.0 mttt -81.49 160.7 23.89 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.487 -0.758 . . . . 0.0 109.452 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.4 pp -67.52 -167.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 122.126 0.965 . . . . 0.0 108.886 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.85 38.24 0.05 Allowed 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.934 0.873 . . . . 0.0 109.665 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.515 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -59.94 -24.61 64.51 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -59.88 -39.97 87.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 108.996 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.15 -34.05 74.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.293 -0.88 . . . . 0.0 109.283 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 99.3 mt -60.01 -40.39 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 110.148 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.84 -39.96 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.137 . . . . 0.0 108.862 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.666 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' Y' ' 3' ' ' THR . 99.2 mtt180 -59.99 -51.17 70.81 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 109.595 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.489 ' C ' ' O ' ' Y' ' 2' ' ' ARG . 7.7 p 31.48 -109.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.436 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' Y' ' 2' ' ' ARG . 95.2 mttt -81.34 160.57 24.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.471 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.561 ' CD1' ' HB1' ' B' ' 83' ' ' ALA . 1.4 pp -67.42 -167.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.156 0.979 . . . . 0.0 108.87 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.78 38.62 0.05 Allowed 'General case' 0 C--N 1.28 -2.42 0 CA-C-O 121.893 0.854 . . . . 0.0 109.594 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.515 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.19 -24.68 64.98 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -59.87 -39.85 86.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.079 -1.013 . . . . 0.0 108.984 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.21 -34.08 74.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.254 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.04 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.888 . . . . 0.0 110.171 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -56.18 -40.06 73.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.825 -1.172 . . . . 0.0 108.924 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.535 179.786 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.7 -39.78 91.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.178 -0.952 . . . . 0.0 109.504 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -26.54 68.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.586 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.8 tt0 -60.02 -48.81 80.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.946 -1.096 . . . . 0.0 110.524 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -66.62 -39.68 88.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.593 -1.317 . . . . 0.0 109.471 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.34 87.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.299 -0.875 . . . . 0.0 110.19 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.3 -42.54 95.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.832 -1.167 . . . . 0.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.06 -40.28 82.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.41 94.07 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.802 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.14 -40.5 94.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.027 -1.046 . . . . 0.0 108.799 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -68.2 -40.3 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.702 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -74.07 -40.1 63.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.609 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.08 -34.9 58.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.97 -50.01 75.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.515 -0.741 . . . . 0.0 109.742 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -72.01 -31.8 66.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.533 -0.729 . . . . 0.0 110.767 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.49 89.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 111.427 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -93.08 -28.22 16.48 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.779 -1.2 . . . . 0.0 111.024 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -65.83 -38.69 89.59 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.27 3.24 32.26 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.176 -0.952 . . . . 0.0 110.908 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -60.07 -47.39 86.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.35 . . . . 0.0 109.045 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -168.19 158.46 10.15 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.457 -0.777 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.12 -165.91 51.14 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 55.9 t0 -79.53 142.15 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.441 -1.035 . . . . 0.0 109.664 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.3 mtmp? -69.44 -27.77 65.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.473 -0.767 . . . . 0.0 109.954 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.99 -18.29 61.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.584 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.77 149.66 51.42 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.204 -0.935 . . . . 0.0 110.585 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.93 130.48 56.51 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpp -96.32 150.41 20.59 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.126 -0.984 . . . . 0.0 108.715 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.0 mtmt -37.44 -49.68 1.04 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.693 -0.629 . . . . 0.0 110.487 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -60.1 -39.92 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.052 -1.03 . . . . 0.0 109.794 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.1 mt-10 -64.34 -39.96 94.94 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 0.0 108.998 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.43 -37.27 80.12 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.38 -0.825 . . . . 0.0 109.11 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.49 -40.08 74.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.046 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.42 -40.53 81.17 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.059 -1.057 . . . . 0.0 108.255 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 73' ' ' PHE . 24.6 tp -60.0 -51.04 71.36 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.611 -0.681 . . . . 0.0 110.41 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.97 -40.6 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.065 -1.022 . . . . 0.0 110.567 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.46 -28.98 62.24 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.176 -1.578 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -86.65 -50.53 6.73 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.051 -1.031 . . . . 0.0 110.739 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' HD22 ' A' ' 40' ' ' LEU . 70.4 mm-40 -83.3 -43.51 15.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.938 -1.101 . . . . 0.0 110.706 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -98.76 30.99 3.08 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 40' ' ' LEU . 39.4 t -42.66 -104.07 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.264 0.554 . . . . 0.0 111.988 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 50.7 p-80 -92.53 -8.12 45.36 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.903 -1.123 . . . . 0.0 110.173 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.4 m-85 -69.1 -39.75 78.81 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.209 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.781 HD22 ' HE1' ' X' ' 7' ' ' TRP . 10.7 mt -142.49 122.42 13.6 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -0.751 . . . . 0.0 109.683 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' LEU . 17.7 tp10 40.64 103.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.833 -0.542 . . . . 0.0 111.645 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -81.3 119.03 23.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -81.86 108.17 14.67 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.422 0 CA-C-O 121.971 0.891 . . . . 0.0 109.181 -178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.85 -15.68 10.65 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 80.2 mt-10 -122.77 152.92 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.818 0.818 . . . . 0.0 110.387 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.37 -21.19 60.58 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.54 -43.32 97.31 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.023 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.5 t -59.99 -49.58 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.5 t -60.34 -47.17 93.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.276 -0.875 . . . . 0.0 108.981 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.22 -43.71 95.79 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.196 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -70.01 -38.93 76.08 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.39 -0.819 . . . . 0.0 109.38 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.56 -31.75 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.098 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 53' ' ' VAL . 12.5 tpt -72.12 -41.84 66.73 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.13 -30.13 70.19 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 m -64.07 -32.68 74.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.295 0.569 . . . . 0.0 109.686 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 39.1 mt -104.45 -50.64 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 66.8 t0 -72.27 56.01 0.34 Allowed 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -66.49 7.93 0.29 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.701 0.762 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.8 m-20 -95.08 -27.81 15.41 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 10.08 85.98 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.0 p-10 -80.4 3.06 22.53 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.652 -0.911 . . . . 0.0 108.582 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.81 29.31 71.12 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.0 mt-10 -145.72 156.06 43.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.484 -1.01 . . . . 0.0 110.239 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.48 121.18 26.74 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -80.0 169.1 18.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 17.7 p90 -59.39 -39.94 84.97 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 53.3 tp60 -61.71 -40.35 94.72 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.359 -0.838 . . . . 0.0 108.801 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -70.03 -42.19 73.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.901 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.1 t80 -65.86 -34.56 78.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 108.96 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -32.05 70.49 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 108.777 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.25 65.33 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.018 -1.051 . . . . 0.0 109.742 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 66.4 t80 -60.0 -41.44 92.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.128 -0.983 . . . . 0.0 109.521 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -66.0 -40.59 87.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 120.969 -1.082 . . . . 0.0 108.49 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -65.21 -43.13 92.5 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.759 -0.588 . . . . 0.0 111.127 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -73.75 -39.99 63.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.857 -1.152 . . . . 0.0 110.813 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 42.7 t -77.49 -32.69 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.801 -1.187 . . . . 0.0 108.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -65.69 -39.84 91.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.975 -1.078 . . . . 0.0 108.23 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -63.92 -40.01 95.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.99 -41.63 92.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.058 -1.026 . . . . 0.0 108.54 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.38 -40.08 89.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.47 -0.769 . . . . 0.0 108.959 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.6 -6.16 10.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.53 -0.731 . . . . 0.0 110.4 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -48.87 -20.01 0.45 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.085 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.32 114.47 3.2 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.922 -1.111 . . . . 0.0 108.03 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 91' ' ' GLU . 19.8 pt-20 -94.47 -0.26 54.84 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.304 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t60 64.49 -22.77 0.07 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.524 -0.735 . . . . 0.0 110.424 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 89' ' ' GLU . 86.8 tt0 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.981 -1.074 . . . . 0.0 109.434 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.532 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.83 -26.64 68.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -0.913 . . . . 0.0 110.433 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.8 tt0 -59.73 -49.34 78.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.001 -1.062 . . . . 0.0 110.413 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.0 ptmt -66.34 -39.53 89.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.538 -1.352 . . . . 0.0 109.546 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -66.84 -41.62 87.13 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.896 . . . . 0.0 110.179 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 ttm -60.08 -42.53 94.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.819 -1.176 . . . . 0.0 109.001 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.98 -40.56 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.78 93.05 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.707 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.84 -40.66 93.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.981 -1.075 . . . . 0.0 108.879 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -68.07 -40.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 108.787 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -74.09 -40.11 62.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.086 -1.009 . . . . 0.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.7 t -60.09 -35.06 59.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.9 -50.02 75.41 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -71.77 -32.08 67.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.649 -0.657 . . . . 0.0 110.804 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.26 89.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 111.378 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -93.08 -28.01 16.61 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.654 -1.279 . . . . 0.0 111.106 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -65.82 -38.88 90.12 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.961 -1.087 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.95 3.04 30.66 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.197 -0.939 . . . . 0.0 111.026 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -60.06 -47.4 86.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.886 -1.361 . . . . 0.0 109.078 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -168.24 158.37 9.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 109.621 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.98 -165.93 51.38 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 55.4 t0 -79.23 142.21 36.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.048 . . . . 0.0 109.808 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.51 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 8.4 mtmp? -69.43 -27.99 65.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -0.801 . . . . 0.0 109.933 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.73 -18.9 61.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.898 . . . . 0.0 110.631 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.15 149.87 50.78 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.135 -0.978 . . . . 0.0 110.643 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.84 130.55 56.46 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 31' ' ' GLU . 24.5 ttpp -96.27 150.48 20.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.149 -0.969 . . . . 0.0 108.668 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.8 mtmt -37.52 -49.65 1.07 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.692 -0.63 . . . . 0.0 110.489 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -59.96 -40.25 88.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.0 109.795 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 37.9 mt-10 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.0 109.124 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.25 -37.79 81.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.116 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -56.28 -40.06 73.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 108.989 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.16 -40.84 82.22 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.431 HD21 ' CE1' ' B' ' 73' ' ' PHE . 25.3 tp -59.99 -51.12 71.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.544 -0.722 . . . . 0.0 110.423 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.6 -41.02 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.047 -1.033 . . . . 0.0 110.574 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -73.33 -28.66 62.19 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.17 -1.581 . . . . 0.0 110.572 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -86.91 -50.53 6.63 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.907 -1.121 . . . . 0.0 110.722 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' C ' HD22 ' B' ' 40' ' ' LEU . 70.3 mm-40 -83.2 -43.59 15.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.952 -1.093 . . . . 0.0 110.7 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -98.68 31.03 3.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.448 ' O ' ' O ' ' B' ' 40' ' ' LEU . 39.0 t -42.69 -103.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.773 -0.58 . . . . 0.0 112.137 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.0 p-80 -92.98 -7.93 44.49 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.882 -1.137 . . . . 0.0 110.176 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 87.3 m-85 -69.19 -39.86 78.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.775 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 10.6 mt -142.44 122.63 13.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.784 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 44' ' ' LEU . 17.9 tp10 40.23 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 178.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.34 118.93 23.06 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 27.5 mm -81.78 108.28 14.72 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.93 0.871 . . . . 0.0 109.278 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.99 -15.59 10.58 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -122.76 152.57 40.5 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.766 0.793 . . . . 0.0 110.438 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.34 -21.28 60.58 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.38 -43.31 96.73 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.44 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.4 t -60.08 -49.57 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.5 t -60.37 -47.22 93.32 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.95 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.32 -43.45 96.35 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.217 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.06 -39.18 75.82 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.305 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -76.17 -31.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 CA-C-O 121.649 0.738 . . . . 0.0 109.101 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.6 tpt -71.95 -41.8 67.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.22 -30.08 70.22 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -64.24 -32.72 74.42 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 41.4 mt -104.13 -50.97 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 66.6 t0 -71.95 55.82 0.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.3 mt-10 -66.34 7.99 0.27 Allowed 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.702 0.763 . . . . 0.0 109.051 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.8 m-20 -95.12 -27.96 15.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.11 85.91 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.578 -1.809 . . . . 0.0 108.578 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.4 p-10 -80.48 3.35 21.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.585 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.52 29.07 71.71 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -145.68 155.84 43.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.454 -1.027 . . . . 0.0 110.353 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -129.69 121.21 26.5 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -79.79 169.09 18.44 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 109.554 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 18.8 p90 -59.43 -40.03 85.42 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 53.9 tp60 -61.54 -40.41 94.59 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.265 -0.897 . . . . 0.0 108.925 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -69.98 -42.0 73.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.137 -0.977 . . . . 0.0 109.825 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.5 t80 -65.97 -34.49 78.23 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 109.079 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -31.92 70.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.149 -0.969 . . . . 0.0 108.931 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.32 65.05 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.079 -1.013 . . . . 0.0 109.75 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' B' ' 80' ' ' VAL . 67.0 t80 -59.96 -41.2 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.147 -0.971 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -40.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 108.399 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -64.83 -43.32 93.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.809 -0.557 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.6 -40.0 64.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.82 -1.175 . . . . 0.0 110.907 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' B' ' 76' ' ' PHE . 44.6 t -77.68 -32.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.742 -1.224 . . . . 0.0 109.139 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 49.4 m -65.92 -39.98 91.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.002 -1.062 . . . . 0.0 108.163 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -63.57 -40.15 96.25 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.18 91.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.5 m -59.92 -41.31 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.973 -1.079 . . . . 0.0 108.596 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.74 -39.76 89.9 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.03 -5.78 10.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.687 -0.633 . . . . 0.0 110.394 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -49.16 -20.04 0.53 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.994 -1.066 . . . . 0.0 110.127 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.25 114.44 3.16 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.877 -1.139 . . . . 0.0 108.018 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' B' ' 91' ' ' GLU . 19.7 pt-20 -94.58 -0.14 54.76 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.152 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t60 64.36 -22.48 0.07 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.53 -0.731 . . . . 0.0 110.46 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 89' ' ' GLU . 86.8 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.974 -1.079 . . . . 0.0 109.489 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 50.31 42.23 25.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.18 -0.95 . . . . 0.0 108.991 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t -144.77 160.02 41.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.343 -0.848 . . . . 0.0 109.78 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.91 157.84 14.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.108 -0.995 . . . . 0.0 108.898 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.93 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.7 pp -46.52 -57.41 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.028 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.93 ' N ' HD12 ' X' ' 5' ' ' ILE . 12.8 t0 -174.41 29.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.781 ' HE1' HD22 ' A' ' 44' ' ' LEU . 1.1 m95 -49.85 -24.11 2.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 109.198 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.49 -46.19 69.94 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.564 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.06 -39.87 75.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.619 -0.676 . . . . 0.0 109.724 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' X' ' 7' ' ' TRP . 85.9 mt -61.34 -53.91 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.197 -0.939 . . . . 0.0 110.352 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.58 -39.78 92.38 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.44 -0.788 . . . . 0.0 109.295 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.343 179.675 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 50.22 42.42 25.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.907 . . . . 0.0 109.205 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -144.94 160.21 41.7 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.298 -0.876 . . . . 0.0 109.655 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -60.64 158.24 12.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.899 . . . . 0.0 108.945 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.917 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.7 pp -47.09 -57.05 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.094 -1.004 . . . . 0.0 110.17 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.917 ' N ' HD12 ' Y' ' 5' ' ' ILE . 13.1 t0 -174.37 28.54 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.775 ' HE1' HD22 ' B' ' 44' ' ' LEU . 1.2 m95 -49.37 -24.08 1.76 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.622 -0.674 . . . . 0.0 109.242 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.56 -46.31 70.21 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 108.647 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -69.96 -39.93 75.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' Y' ' 7' ' ' TRP . 88.0 mt -60.94 -55.09 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.18 -39.8 87.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.356 -0.84 . . . . 0.0 109.521 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.386 179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 86.4 tt0 -60.5 -39.96 89.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.373 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.44 -23.26 37.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.5 -0.75 . . . . 0.0 110.258 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.0 tt0 -59.96 -49.45 77.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 7.7 pttt -69.54 -29.41 66.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.778 -1.201 . . . . 0.0 109.154 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -75.52 -40.34 57.15 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.546 -0.721 . . . . 0.0 110.467 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.7 ttm -60.02 -45.34 93.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 110.059 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -61.61 -39.6 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.02 93.93 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.758 -0.589 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.86 -41.11 92.07 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.411 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.3 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.142 -0.974 . . . . 0.0 108.975 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.25 -42.54 54.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.335 -0.853 . . . . 0.0 109.967 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.5 -34.51 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' A' ' 18' ' ' SER . 86.1 t80 -59.08 -48.06 82.98 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 109.057 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -69.95 -30.67 68.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.198 -0.939 . . . . 0.0 110.952 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' OE1' ' B' ' 2' ' ' GLU . 77.0 mt-30 -59.9 -45.5 92.35 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.773 -1.205 . . . . 0.0 112.177 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' A' ' 35' ' ' LEU . 32.1 p90 -104.71 -28.62 11.1 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.776 -1.203 . . . . 0.0 110.714 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 93.6 p -60.08 -38.09 81.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.44 -1.413 . . . . 0.0 108.683 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.72 9.82 10.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -60.14 -37.31 79.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -1.106 . . . . 0.0 109.701 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -140.34 168.59 19.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.269 -0.894 . . . . 0.0 109.953 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.27 -29.64 16.4 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 26' ' ' LYS . 49.3 t0 -69.7 65.59 0.21 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.754 -1.439 . . . . 0.0 109.769 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' GLY . 54.7 mttm -72.65 -33.26 66.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.798 . . . . 0.0 109.666 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -70.68 -34.34 71.89 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.554 -0.716 . . . . 0.0 110.635 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 91.9 mttt -129.78 156.3 44.54 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.226 -0.921 . . . . 0.0 110.088 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -106.19 124.51 49.7 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.474 -0.767 . . . . 0.0 109.044 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' GLU . 78.7 tttt -91.46 151.86 20.61 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.0 108.616 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.2 ptpt -41.22 -39.56 1.37 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.382 -0.824 . . . . 0.0 110.034 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.5 p -63.61 -40.62 97.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.154 -0.966 . . . . 0.0 109.378 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' LYS . 43.4 mt-10 -67.43 -40.25 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.175 -0.953 . . . . 0.0 109.055 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -67.66 -40.02 84.5 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -59.89 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.443 -0.785 . . . . 0.0 109.352 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.4 mt -72.36 -42.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 120.592 -1.317 . . . . 0.0 110.24 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -73.63 -24.01 59.96 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.463 -1.398 . . . . 0.0 110.967 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -90.09 -33.96 16.09 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.7 -1.25 . . . . 0.0 111.463 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 39.5 mp0 -109.01 -32.75 7.13 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.856 -1.153 . . . . 0.0 111.049 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mm? -99.95 19.53 16.03 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.877 -1.139 . . . . 0.0 108.174 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 79.7 p -44.59 -101.21 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.813 -0.554 . . . . 0.0 111.932 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.545 ' N ' ' OG ' ' A' ' 41' ' ' SER . 55.6 t-80 -87.11 -22.39 25.42 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.154 -0.966 . . . . 0.0 111.391 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 97.3 m-85 -61.17 -30.18 70.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.648 -1.283 . . . . 0.0 108.801 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD22 ' HE1' ' X' ' 7' ' ' TRP . 3.2 mt -141.36 -155.62 0.6 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -50.42 137.75 18.34 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.697 -1.252 . . . . 0.0 110.96 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 7.5 pt-20 -100.2 122.02 42.37 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 52' ' ' VAL . 40.4 mm -91.36 120.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 CA-C-O 122.032 0.92 . . . . 0.0 109.809 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.612 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -133.96 -12.02 2.58 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -122.03 153.0 39.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 0.0 110.329 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -72.47 -23.28 61.02 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.5 pt-20 -60.25 -45.54 92.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.401 -0.812 . . . . 0.0 110.136 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 47' ' ' ILE . 24.3 t -61.97 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 57' ' ' MET . 40.9 t -60.99 -44.02 97.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.844 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -63.73 -44.79 92.52 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.297 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 55' ' ' LYS . 9.1 mtpm? -69.36 -39.2 78.23 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.582 0.706 . . . . 0.0 109.192 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.25 -33.09 19.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.574 -0.704 . . . . 0.0 109.615 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.54 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.2 tpt -74.66 -41.9 59.46 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.96 -30.91 71.24 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.448 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.5 m -63.63 -34.91 78.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.917 -0.489 . . . . 0.0 110.325 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.35 5.66 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 66.1 t0 -78.76 56.39 1.87 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.41 5.64 0.54 Allowed 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.085 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 61' ' ' ASP . 91.4 m-20 -88.58 -31.17 18.75 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.24 11.24 83.72 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 49.2 p-10 -84.52 4.84 30.03 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.42 36.57 92.72 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.8 mt-10 -145.37 153.75 41.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.272 -1.134 . . . . 0.0 110.449 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 122.29 23.9 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -80.02 168.85 18.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 5.5 p90 -54.71 -42.27 71.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.947 -1.096 . . . . 0.0 108.526 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.523 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.4 tt0 -60.73 -40.99 94.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -0.899 . . . . 0.0 109.819 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.59 -40.13 96.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.998 -1.064 . . . . 0.0 109.67 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.79 -40.22 87.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.341 -0.849 . . . . 0.0 109.132 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.4 mmm -60.26 -37.13 79.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.356 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.62 78.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 110.524 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -58.42 -40.5 82.65 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.962 -1.086 . . . . 0.0 108.851 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.1 t -60.65 -43.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.235 -0.915 . . . . 0.0 108.767 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -60.48 -42.35 96.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.568 -0.707 . . . . 0.0 109.919 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.95 -45.59 92.99 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.468 -0.77 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.51 -28.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.168 -0.958 . . . . 0.0 109.92 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 94.0 m -68.38 -39.7 81.67 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -69.62 -39.76 76.99 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.797 -0.564 . . . . 0.0 109.691 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.19 96.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.99 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.3 -40.92 98.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.356 -0.84 . . . . 0.0 109.946 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -60.02 -40.1 88.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.045 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.93 -21.85 65.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.708 -0.62 . . . . 0.0 110.374 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.1 -40.55 90.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.81 110.28 16.16 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.08 -1.013 . . . . 0.0 109.433 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -99.53 -107.89 0.2 Allowed 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.35 -40.07 95.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.958 -1.089 . . . . 0.0 110.014 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.751 -179.315 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 81.7 tt0 -60.74 -39.75 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.54 -22.98 36.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.554 -0.716 . . . . 0.0 110.364 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.6 tt0 -59.8 -49.68 76.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 110.67 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.5 pttt -69.57 -29.68 67.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.735 -1.228 . . . . 0.0 109.217 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -75.08 -40.38 60.17 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.5 -0.75 . . . . 0.0 110.367 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.29 -45.39 93.51 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.875 -1.14 . . . . 0.0 110.0 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.39 -39.85 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.22 94.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.659 -0.65 . . . . 0.0 109.841 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.33 -41.23 89.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.994 -1.066 . . . . 0.0 108.295 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -43.17 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.165 -0.96 . . . . 0.0 108.794 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.28 -42.34 55.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.362 -0.836 . . . . 0.0 110.049 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t -57.77 -34.73 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.1 t80 -58.71 -47.96 82.78 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 109.163 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -70.02 -30.75 68.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.193 -0.942 . . . . 0.0 110.979 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 2' ' ' GLU . 76.0 mt-30 -59.88 -45.66 91.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.758 -1.214 . . . . 0.0 112.087 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.509 ' CD1' HD23 ' B' ' 35' ' ' LEU . 31.3 p90 -104.52 -28.56 11.22 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.895 -1.128 . . . . 0.0 110.887 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 96.7 p -60.1 -38.09 81.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.488 -1.382 . . . . 0.0 108.545 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.89 9.79 10.63 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 20' ' ' ARG . 34.4 ttt-85 -60.15 -37.09 79.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.244 -1.15 . . . . 0.0 109.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.43 168.67 19.26 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -50.24 -29.44 15.86 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 26' ' ' LYS . 49.2 t0 -69.94 64.86 0.23 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.726 -1.455 . . . . 0.0 109.933 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' B' ' 22' ' ' GLY . 55.4 mttm -71.58 -33.94 69.49 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.662 0.744 . . . . 0.0 109.816 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -70.79 -34.59 71.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.667 -0.646 . . . . 0.0 110.545 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 90.9 mttt -129.54 156.95 43.34 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.102 -0.999 . . . . 0.0 110.2 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.5 123.75 48.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.571 -0.706 . . . . 0.0 109.127 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' B' ' 31' ' ' GLU . 81.1 tttt -91.08 151.27 21.07 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.2 ptpt -40.97 -39.05 1.08 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.358 -0.839 . . . . 0.0 110.18 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -63.74 -41.03 98.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.132 -0.98 . . . . 0.0 109.212 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.2 mt-10 -67.11 -40.0 86.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.317 -0.864 . . . . 0.0 109.023 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -68.27 -36.18 79.01 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.036 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.96 -39.89 72.45 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.73 -40.03 84.24 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.707 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -59.83 -49.12 78.94 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.474 -0.766 . . . . 0.0 109.415 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 36' ' ' ILE . 41.8 mt -72.54 -42.48 63.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.672 -1.267 . . . . 0.0 110.245 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -73.42 -23.97 60.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.52 -1.363 . . . . 0.0 111.033 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -89.97 -34.39 16.03 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.645 -1.284 . . . . 0.0 111.38 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.504 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 39.9 mp0 -108.34 -32.87 7.28 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.792 -1.193 . . . . 0.0 111.115 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.99 19.91 15.37 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.985 -1.072 . . . . 0.0 108.194 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 96.3 p -45.06 -100.86 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.669 -0.645 . . . . 0.0 112.008 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' B' ' 41' ' ' SER . 56.2 t-80 -87.03 -22.59 25.38 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.233 -0.917 . . . . 0.0 111.347 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.54 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 97.1 m-85 -61.11 -30.41 70.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.794 -1.191 . . . . 0.0 108.803 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.49 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 2.8 mt -141.26 -155.22 0.57 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.356 -0.84 . . . . 0.0 108.752 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -51.05 138.22 20.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.656 -1.278 . . . . 0.0 110.968 -178.169 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 7.2 pt-20 -100.24 122.12 42.54 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' B' ' 52' ' ' VAL . 37.4 mm -91.66 121.07 41.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-O 122.037 0.922 . . . . 0.0 109.79 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.582 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -134.66 -11.43 2.37 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -122.2 153.17 39.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.616 0.722 . . . . 0.0 110.39 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.54 -23.46 60.99 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.1 pt-20 -59.99 -45.61 92.14 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 22.6 t -62.09 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.8 t -60.78 -44.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.775 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.41 -45.13 92.42 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.764 -1.21 . . . . 0.0 109.389 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.496 ' HB3' ' HZ3' ' B' ' 55' ' ' LYS . 9.0 mtpm? -69.28 -38.97 78.59 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.02 -33.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 121.588 0.709 . . . . 0.0 109.528 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' ASP . 8.6 tpt -74.74 -42.02 59.05 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.58 -31.38 71.43 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.454 ' C ' HD22 ' B' ' 60' ' ' LEU . 27.7 m -63.42 -34.82 78.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.912 -0.493 . . . . 0.0 110.502 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.505 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.03 5.75 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.3 t0 -79.37 56.14 2.06 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.22 6.02 0.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 CA-C-O 121.695 0.759 . . . . 0.0 109.093 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' ASP . 91.7 m-20 -88.73 -31.07 18.62 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.86 84.33 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.071 -2.011 . . . . 0.0 108.071 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.4 p-10 -84.37 5.18 28.04 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 60.75 36.92 92.72 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -145.51 153.38 41.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.294 -1.121 . . . . 0.0 110.481 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.91 122.57 24.53 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -80.19 168.38 19.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.163 -0.961 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 5.6 p90 -54.66 -41.75 70.51 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.005 -1.059 . . . . 0.0 108.527 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 60.7 tt0 -61.39 -40.8 95.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.175 -0.953 . . . . 0.0 109.642 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.78 -39.92 95.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 5.0 t80 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.923 . . . . 0.0 109.035 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.19 -37.27 79.71 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.359 -0.838 . . . . 0.0 109.267 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.96 77.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 110.639 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.0 -40.42 84.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.003 -1.061 . . . . 0.0 108.925 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.3 t -60.67 -43.92 95.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -60.45 -42.69 96.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.585 -0.697 . . . . 0.0 109.848 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.79 -45.47 93.71 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 110.505 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.56 -28.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 109.83 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.0 m -68.17 -39.93 82.41 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.3 m -69.27 -40.07 78.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.803 -0.561 . . . . 0.0 109.614 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.6 97.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.268 -0.895 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.46 -40.72 97.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.815 . . . . 0.0 109.944 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.02 -40.08 88.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.017 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.56 -21.43 65.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.663 -0.648 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.73 -40.35 87.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.949 . . . . 0.0 110.34 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -81.12 109.9 16.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.17 -0.956 . . . . 0.0 109.406 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -98.93 -107.95 0.19 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.49 -40.52 96.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.044 -1.035 . . . . 0.0 109.889 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.87 -179.437 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' X' ' 1' ' ' THR . 32.2 ptt180 -77.76 4.46 11.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 108.263 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -54.04 -31.08 50.3 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.87 148.03 40.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.378 -0.826 . . . . 0.0 109.644 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.466 HG22 ' H ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -54.82 158.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.164 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.15 87.42 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 121.715 0.769 . . . . 0.0 109.945 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.709 ' CD1' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -74.89 -24.54 58.56 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.165 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -47.89 -46.02 31.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.022 -1.049 . . . . 0.0 109.151 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.61 -41.46 94.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.344 -0.847 . . . . 0.0 109.329 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.709 HD12 ' CD1' ' X' ' 7' ' ' TRP . 92.8 mt -60.22 -47.8 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.204 -0.935 . . . . 0.0 110.467 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.97 -40.22 88.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.008 . . . . 0.0 109.031 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.28 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 33.8 ptt180 -77.52 3.9 12.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.985 -1.072 . . . . 0.0 108.267 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -53.62 -31.03 45.47 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -60.93 147.97 41.36 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.426 -0.796 . . . . 0.0 109.403 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.45 HG22 ' H ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -54.72 158.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.007 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' N ' HG12 ' Y' ' 5' ' ' ILE . 26.0 t0 -59.86 87.48 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.596 0.712 . . . . 0.0 109.953 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.685 ' CD1' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -74.96 -24.29 58.43 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -48.33 -45.82 35.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.96 -41.02 95.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.35 -0.844 . . . . 0.0 109.471 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 83.9 mt -60.35 -47.9 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.296 -0.878 . . . . 0.0 110.184 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.06 -39.52 86.31 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.123 -0.985 . . . . 0.0 109.417 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.299 -1.589 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.233 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.454 0.645 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.98 -35.66 74.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.0 108.894 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' SD ' ' A' ' 7' ' ' MET . 6.7 tt -68.9 -26.42 65.09 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.325 -0.86 . . . . 0.0 110.453 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 87.2 mt-10 -60.06 -49.08 79.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.041 -1.037 . . . . 0.0 110.434 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.98 -37.59 75.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.915 -1.116 . . . . 0.0 109.601 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.35 92.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.299 -0.876 . . . . 0.0 109.913 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 3' ' ' LEU . 65.6 mtp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.835 -1.166 . . . . 0.0 109.261 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.0 -40.31 82.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.74 -45.16 87.66 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.991 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 10' ' ' LEU . 88.1 mt -62.94 -40.0 96.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.08 -1.012 . . . . 0.0 109.925 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.26 -42.18 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.647 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.51 -39.37 77.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.0 110.167 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.3 t -58.44 -35.76 55.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.082 -1.011 . . . . 0.0 108.352 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE2' ' NE2' ' B' ' 85' ' ' HIS . 85.2 t80 -59.83 -49.97 75.61 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.684 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -64.92 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.635 -0.666 . . . . 0.0 111.21 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' NE2' ' CE2' ' A' ' 17' ' ' TYR . 31.5 tt0 -59.95 -46.72 88.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 111.547 -177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.506 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 98.9 m-85 -95.13 -26.07 16.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.77 -1.206 . . . . 0.0 111.215 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -65.19 -38.36 90.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.735 -1.228 . . . . 0.0 110.051 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.51 6.72 10.51 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 17' ' ' TYR . 18.6 mmt180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.054 -1.263 . . . . 0.0 109.894 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -136.02 160.92 37.14 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.419 -0.801 . . . . 0.0 109.777 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -48.49 -26.06 4.91 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.4 m-20 -70.37 46.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.0 ttpt -60.23 -29.66 68.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -0.913 . . . . 0.0 110.345 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.02 -35.77 74.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.062 -1.024 . . . . 0.0 110.57 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 67.4 mmtt -125.77 147.73 49.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 0.0 109.628 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -97.59 128.75 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -100.56 154.58 18.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.359 -0.838 . . . . 0.0 108.979 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -45.07 -35.02 2.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.165 -0.96 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -64.64 -43.86 92.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.9 -1.125 . . . . 0.0 109.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -68.8 -39.98 79.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 108.926 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.5 -39.85 92.44 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.635 0.731 . . . . 0.0 109.037 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.0 -42.62 94.65 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.13 -39.21 86.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.915 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.94 -50.35 74.1 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.792 -0.567 . . . . 0.0 110.81 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -77.71 -42.06 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.094 -1.004 . . . . 0.0 111.544 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 40.2 p30 -70.05 -22.59 63.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.288 -1.507 . . . . 0.0 110.746 -178.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 19.7 t-20 -87.43 -34.45 18.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.968 -1.082 . . . . 0.0 112.308 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.07 -29.67 8.84 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.597 -1.315 . . . . 0.0 111.628 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -97.81 13.71 29.56 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.862 -1.149 . . . . 0.0 108.624 -179.146 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' LEU . 36.7 p -44.59 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.275 -0.891 . . . . 0.0 111.162 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.41 -22.03 26.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -0.93 . . . . 0.0 110.372 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' ' OE2' ' B' ' 4' ' ' GLU . 79.5 m-85 -61.33 -39.01 88.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.948 . . . . 0.0 109.445 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 1.5 tp -141.6 -142.81 0.14 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' LEU . 49.3 tp10 -60.0 133.35 56.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.756 -1.215 . . . . 0.0 109.644 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -98.55 119.3 37.03 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.76 118.84 46.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -128.51 -11.02 5.08 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -122.43 162.0 22.46 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.662 0.744 . . . . 0.0 110.246 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.09 -16.59 57.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.98 -45.39 89.23 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -62.07 -43.2 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' MET . 42.0 t -59.99 -46.68 93.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.41 -47.65 84.8 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -68.45 -35.89 78.23 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.9 -32.7 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.473 -0.767 . . . . 0.0 109.337 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.7 mmm -70.56 -41.82 71.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 108.92 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.06 -30.54 70.39 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.0 m -70.03 -39.73 75.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.908 -0.495 . . . . 0.0 110.749 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.44 -53.21 2.84 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.028 -1.045 . . . . 0.0 108.222 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.5 t0 -77.12 58.16 1.51 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.68 5.07 0.9 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.9 m-20 -77.56 -29.51 52.18 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 178.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.6 86.05 Favored Glycine 0 N--CA 1.485 1.913 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p-10 -88.45 1.89 53.88 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.88 36.23 92.49 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.19 149.57 36.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -1.03 . . . . 0.0 109.866 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -133.24 139.48 46.97 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 13.3 p30 -103.8 172.76 6.63 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.093 -1.005 . . . . 0.0 109.952 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.9 p90 -49.12 -45.62 43.83 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 109.482 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.6 tm0? -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.069 -1.02 . . . . 0.0 109.479 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 39.8 mt-10 -69.31 -40.09 77.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.092 -1.005 . . . . 0.0 109.828 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.47 -40.01 92.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.064 -1.022 . . . . 0.0 108.863 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.8 -30.38 69.79 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.852 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.7 68.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.128 -0.983 . . . . 0.0 109.741 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.02 -39.99 87.73 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.086 -1.009 . . . . 0.0 108.65 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -63.01 -46.49 96.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.298 -0.876 . . . . 0.0 108.853 179.23 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.06 -41.99 93.53 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.547 0.689 . . . . 0.0 109.15 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.39 -45.92 88.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.701 . . . . 0.0 110.316 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 t -79.47 -28.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.191 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.8 m -60.77 -39.96 90.71 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.976 -1.077 . . . . 0.0 108.533 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -65.34 -42.38 92.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.558 -0.714 . . . . 0.0 109.221 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.23 79.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.023 . . . . 0.0 108.985 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -63.73 -41.08 98.11 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.53 ' NE2' ' CE2' ' B' ' 14' ' ' PHE . 43.8 t-80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.625 -0.672 . . . . 0.0 109.721 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.186 -0.946 . . . . 0.0 108.92 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.37 93.81 0.07 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -124.98 134.9 52.42 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.722 0.772 . . . . 0.0 109.094 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -144.83 -151.56 0.38 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -61.62 -39.97 93.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.108 -0.995 . . . . 0.0 109.741 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.744 -179.407 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.321 0.581 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.95 -35.98 74.91 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.354 -0.841 . . . . 0.0 108.916 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.415 HD21 ' SD ' ' B' ' 7' ' ' MET . 6.8 tt -68.68 -26.51 65.34 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.42 -0.8 . . . . 0.0 110.481 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE2' ' CD2' ' A' ' 43' ' ' PHE . 86.9 mt-10 -60.03 -49.09 79.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.021 -1.049 . . . . 0.0 110.438 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -70.01 -37.5 75.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.907 -1.121 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.44 92.05 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.918 . . . . 0.0 109.916 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.415 ' SD ' HD21 ' B' ' 3' ' ' LEU . 66.4 mtp -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.9 -1.125 . . . . 0.0 109.22 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -59.92 -40.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -65.0 -45.5 85.32 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 10' ' ' LEU . 86.9 mt -62.62 -40.05 95.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.094 -1.003 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.19 -42.27 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.107 -0.996 . . . . 0.0 109.723 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -69.37 -39.44 78.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.195 -0.94 . . . . 0.0 110.119 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.7 t -58.25 -35.96 55.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 85' ' ' HIS . 86.2 t80 -59.59 -50.03 75.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.466 -0.893 . . . . 0.0 108.653 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.663 -0.648 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.517 ' NE2' ' CE2' ' B' ' 17' ' ' TYR . 31.5 tt0 -60.02 -46.49 89.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.973 -1.079 . . . . 0.0 111.485 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.517 ' CE2' ' NE2' ' B' ' 16' ' ' GLN . 98.9 m-85 -95.25 -26.19 16.05 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.81 -1.181 . . . . 0.0 111.1 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -65.05 -38.6 91.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.803 -1.186 . . . . 0.0 110.112 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.36 6.74 10.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 17' ' ' TYR . 18.7 mmt180 -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.072 -1.252 . . . . 0.0 109.897 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -135.93 161.0 36.85 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.379 -0.826 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -48.43 -26.22 4.93 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 97.4 m-20 -70.34 46.56 0.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -1.184 . . . . 0.0 109.514 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.4 ttpt -60.16 -29.55 68.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 110.292 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.0 -36.11 74.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.072 -1.018 . . . . 0.0 110.625 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 67.8 mmtt -125.51 147.78 49.12 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.265 -0.897 . . . . 0.0 109.659 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -97.54 128.76 44.54 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 29' ' ' LYS . 37.0 ttpt -100.45 154.49 18.49 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.264 -0.898 . . . . 0.0 108.95 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.7 ptpt -44.98 -35.16 2.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.256 -0.903 . . . . 0.0 109.917 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -64.6 -43.91 92.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.857 -1.152 . . . . 0.0 109.14 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -68.71 -39.95 80.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 108.896 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.53 -39.83 92.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.652 0.739 . . . . 0.0 109.018 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.96 -42.41 94.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.026 -1.046 . . . . 0.0 109.439 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -67.45 -38.95 85.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.0 108.967 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.799 -0.563 . . . . 0.0 110.733 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -77.58 -42.21 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.194 -0.941 . . . . 0.0 111.537 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 39.6 p30 -70.02 -22.53 63.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.307 -1.496 . . . . 0.0 110.716 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 19.9 t-20 -87.38 -34.55 18.74 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.903 -1.123 . . . . 0.0 112.27 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -107.83 -29.99 8.77 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.66 -1.275 . . . . 0.0 111.633 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -97.79 13.59 29.93 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.864 -1.148 . . . . 0.0 108.691 -179.094 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 44.3 p -44.43 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 111.15 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.38 -22.22 26.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.213 -0.93 . . . . 0.0 110.376 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 79.4 m-85 -60.92 -39.19 88.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 0.0 109.552 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.556 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 1.5 tp -141.56 -142.62 0.14 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' B' ' 40' ' ' LEU . 49.5 tp10 -60.12 133.71 56.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.741 -1.225 . . . . 0.0 109.528 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -99.01 119.48 37.85 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.84 118.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -128.25 -11.11 5.23 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -122.45 162.03 22.44 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.668 0.747 . . . . 0.0 110.324 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -77.95 -16.78 57.89 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.93 -45.64 88.33 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.563 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.77 -43.26 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 57' ' ' MET . 42.8 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 44.5 t0 -61.25 -47.68 84.93 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.362 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -68.34 -35.99 78.59 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.66 -32.92 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.437 -0.79 . . . . 0.0 109.375 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.6 mmm -70.47 -41.73 72.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.009 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.0 -30.6 70.38 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -70.0 -39.65 75.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.896 -0.503 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.43 -53.31 2.82 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.022 -1.049 . . . . 0.0 108.225 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.2 t0 -76.9 58.15 1.43 Allowed 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.74 4.91 0.96 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.9 m-20 -77.48 -29.55 52.7 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.44 86.25 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 53.8 p-10 -88.44 2.14 53.34 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.67 36.0 92.02 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -143.96 149.68 37.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -1.032 . . . . 0.0 109.921 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -133.3 139.28 46.8 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 13.9 p30 -103.67 172.82 6.59 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.155 -0.966 . . . . 0.0 109.98 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.8 p90 -49.19 -45.62 44.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.445 -0.784 . . . . 0.0 109.484 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 1.6 tm0? -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 109.417 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 39.9 mt-10 -69.24 -39.98 78.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.039 -1.038 . . . . 0.0 109.982 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.54 -40.0 93.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.045 -1.034 . . . . 0.0 108.863 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.55 -30.8 70.54 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.239 -0.985 . . . . 0.0 108.993 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.14 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.111 -0.993 . . . . 0.0 109.836 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -59.96 -40.21 88.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.11 -0.994 . . . . 0.0 108.527 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -62.85 -46.37 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 108.914 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -59.99 -42.2 93.7 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.583 0.706 . . . . 0.0 109.187 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 46.1 ttp -63.26 -46.44 86.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.549 -0.719 . . . . 0.0 110.337 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.1 -28.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.235 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -60.95 -40.04 91.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.533 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -65.34 -42.4 92.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.569 -0.707 . . . . 0.0 109.206 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.22 79.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.071 -1.018 . . . . 0.0 109.053 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.69 -41.1 98.19 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t-80 -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.588 -0.695 . . . . 0.0 109.631 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -39.92 87.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.116 -0.99 . . . . 0.0 108.941 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.47 94.11 0.08 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -125.27 134.72 52.18 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.707 0.765 . . . . 0.0 109.182 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -144.69 -151.63 0.38 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -61.61 -40.01 93.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.0 109.74 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.753 -179.52 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.185 0.517 . . . . 0.0 109.713 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -92.92 6.62 47.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.144 -0.972 . . . . 0.0 109.897 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.422 HG22 ' H ' ' X' ' 3' ' ' THR . 0.0 OUTLIER -88.23 4.44 45.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.076 -1.015 . . . . 0.0 108.988 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.26 143.12 58.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.545 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.7 pp -70.3 -150.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.874 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.545 ' N ' HD12 ' X' ' 5' ' ' ILE . 25.1 p-10 -91.88 62.08 4.25 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 111.389 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.546 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.7 -24.77 64.53 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -51.51 -35.37 40.18 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.577 -1.327 . . . . 0.0 109.867 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.57 -42.5 74.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.957 -1.089 . . . . 0.0 110.699 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' X' ' 7' ' ' TRP . 1.5 pt -79.56 -41.08 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 120.777 -1.202 . . . . 0.0 109.727 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.5 -40.0 93.01 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.096 -1.003 . . . . 0.0 109.21 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.616 179.806 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -92.87 6.72 46.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.128 -0.983 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.431 ' H ' HG22 ' Y' ' 3' ' ' THR . 0.0 OUTLIER -88.39 4.46 46.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.065 -1.022 . . . . 0.0 108.939 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.96 142.71 58.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.527 -0.733 . . . . 0.0 109.701 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.563 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.8 pp -70.04 -149.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.883 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.563 ' N ' HD12 ' Y' ' 5' ' ' ILE . 25.1 p-10 -92.18 62.11 4.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.311 -0.868 . . . . 0.0 111.29 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.556 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -68.64 -24.64 64.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.105 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -51.67 -35.67 43.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.584 -1.322 . . . . 0.0 109.952 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.28 -42.58 75.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.937 -1.102 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' Y' ' 7' ' ' TRP . 1.5 pt -79.23 -42.46 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.803 -1.185 . . . . 0.0 109.624 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.0 -39.99 87.67 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.058 -1.026 . . . . 0.0 109.513 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.571 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.66 -39.0 90.9 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.874 . . . . 0.0 108.974 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.92 -24.82 64.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 110.835 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -50.1 75.08 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.695 -1.253 . . . . 0.0 110.461 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -38.46 76.11 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.875 -1.141 . . . . 0.0 109.407 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.96 87.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.881 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.96 -40.13 87.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.888 -1.133 . . . . 0.0 108.767 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.33 -40.24 83.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.83 87.33 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.18 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.3 -40.08 92.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.041 -1.037 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -68.55 -42.87 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.148 -0.97 . . . . 0.0 110.016 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.45 -39.99 73.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.873 -1.142 . . . . 0.0 109.4 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -58.59 -34.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.97 -48.93 79.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.839 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -78.75 -23.53 45.33 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.135 -0.978 . . . . 0.0 111.211 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.01 -45.46 92.67 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.006 -1.059 . . . . 0.0 111.523 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 35' ' ' LEU . 42.7 p90 -105.07 -30.36 9.81 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 120.884 -1.135 . . . . 0.0 111.313 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.917 -1.115 . . . . 0.0 110.554 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.44 58.75 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 20' ' ' ARG . 4.9 ptm180 -65.92 -40.04 91.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.611 -1.523 . . . . 0.0 109.462 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.65 165.65 20.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.181 -0.949 . . . . 0.0 109.604 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.34 -157.45 53.47 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -81.29 121.23 25.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.331 -1.099 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -62.78 -29.35 70.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.369 -0.832 . . . . 0.0 109.498 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -72.62 -19.98 61.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.901 . . . . 0.0 110.663 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -129.32 155.51 45.5 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.2 -0.938 . . . . 0.0 109.621 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.02 131.3 56.48 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 0.0 109.826 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLU . 64.8 tttm -98.17 150.94 20.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 108.654 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 12.5 ptpt -40.84 -38.41 0.93 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.398 -0.814 . . . . 0.0 109.927 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -64.94 -42.08 94.95 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' LYS . 89.3 mt-10 -69.94 -40.0 75.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.087 -1.008 . . . . 0.0 109.1 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.07 -39.0 93.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.85 . . . . 0.0 109.47 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.34 -39.98 80.9 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 54.0 tp10 -63.11 -41.39 99.34 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.03 -48.48 81.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.811 . . . . 0.0 109.328 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.36 -42.3 81.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.352 -0.842 . . . . 0.0 110.773 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -84.4 -23.33 30.1 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.943 -1.098 . . . . 0.0 111.84 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 47.9 t-20 -88.17 -33.98 17.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.393 -1.442 . . . . 0.0 111.265 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 40' ' ' LEU . 63.6 mm-40 -92.83 -14.9 27.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.271 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -162.4 75.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.772 -1.205 . . . . 0.0 110.417 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.15 -70.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.738 -1.226 . . . . 0.0 109.686 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -87.87 -33.21 18.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.175 -0.953 . . . . 0.0 111.18 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.09 -40.0 88.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.931 -1.106 . . . . 0.0 109.241 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 40' ' ' LEU . 17.9 tp -159.97 141.76 12.91 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' OE2' ' CH2' ' X' ' 7' ' ' TRP . 31.0 mt-10 51.19 92.44 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.554 -0.859 . . . . 0.0 111.269 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -94.52 136.09 35.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.6 HD13 ' HE1' ' X' ' 7' ' ' TRP . 3.1 mm -115.05 114.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.57 -14.13 7.83 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -124.43 156.51 37.05 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.581 0.705 . . . . 0.0 110.324 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.502 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -79.99 -13.91 58.98 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.08 -40.53 94.79 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.3 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -45.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 57' ' ' MET . 9.3 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.054 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 52.2 m-20 -61.9 -43.85 97.99 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.227 -1.389 . . . . 0.0 110.075 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.83 -1.148 . . . . 0.0 109.121 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.6 -38.43 67.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 122.038 0.923 . . . . 0.0 108.564 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' ASP . 13.3 tpt -70.56 -40.79 73.15 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.29 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -64.18 -39.79 94.75 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.457 0.646 . . . . 0.0 109.657 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 72' ' ' GLU . 10.0 mp -97.88 -47.73 5.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 0.0 109.256 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.2 t0 -74.72 51.2 0.47 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -66.53 -0.06 2.55 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.1 m-20 -77.34 -34.15 55.3 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.62 83.42 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.942 -2.463 . . . . 0.0 106.942 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.1 p-10 -85.09 1.69 46.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.03 30.61 74.14 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -145.89 159.69 42.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -1.102 . . . . 0.0 110.453 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.98 122.25 25.24 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.21 168.15 19.44 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.493 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -56.08 -40.03 73.0 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 108.73 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.13 -40.43 95.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.066 -1.021 . . . . 0.0 109.396 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 80.4 mt-10 -69.99 -40.91 75.04 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.01 -1.056 . . . . 0.0 109.319 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE2' ' OH ' ' A' ' 17' ' ' TYR . 2.6 t80 -63.93 -37.33 87.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.98 -33.38 71.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -27.84 66.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.241 -0.912 . . . . 0.0 110.03 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' A' ' 80' ' ' VAL . 58.0 t80 -59.98 -42.66 94.64 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.756 -1.215 . . . . 0.0 108.522 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -45.1 97.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -61.58 -40.45 94.8 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.041 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.7 ttp -66.37 -45.32 80.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.124 -0.985 . . . . 0.0 109.424 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 61.3 t -70.47 -36.67 67.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.662 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -62.38 -40.0 95.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.229 -0.919 . . . . 0.0 109.257 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -40.02 71.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.76 74.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.0 110.392 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 88.6 m -61.9 -48.55 79.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 108.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.75 -39.91 90.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.678 0.751 . . . . 0.0 109.153 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.79 -39.69 85.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.64 -0.662 . . . . 0.0 109.867 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.32 104.89 0.29 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.058 -1.026 . . . . 0.0 109.832 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 89' ' ' GLU . 68.0 t80 -116.29 139.92 49.87 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.723 0.773 . . . . 0.0 108.99 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 86.1 tt0 -82.38 109.6 16.78 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.374 179.686 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.74 -39.18 90.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 108.967 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.03 -24.72 64.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.01 -50.07 75.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.607 -1.308 . . . . 0.0 110.56 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.05 75.68 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.828 -1.17 . . . . 0.0 109.391 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 110.009 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.0 tpp -59.98 -40.28 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.952 -1.092 . . . . 0.0 108.744 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.29 -40.04 82.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.53 86.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.56 -40.08 93.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.68 -42.63 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.116 -0.99 . . . . 0.0 110.006 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.55 -39.87 73.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.905 -1.122 . . . . 0.0 109.38 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.77 -34.59 52.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.61 -49.08 79.13 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.297 -0.877 . . . . 0.0 109.826 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.74 -23.47 45.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.085 -1.009 . . . . 0.0 111.318 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -45.48 92.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.0 -1.062 . . . . 0.0 111.546 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.461 ' CD2' HD23 ' B' ' 35' ' ' LEU . 43.0 p90 -104.93 -30.25 9.95 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 120.87 -1.143 . . . . 0.0 111.345 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.901 -1.124 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.38 11.98 59.76 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.416 ' HG3' HH11 ' B' ' 20' ' ' ARG . 4.8 ptm180 -65.51 -40.17 92.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.708 -1.466 . . . . 0.0 109.537 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.77 165.63 20.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.181 -0.949 . . . . 0.0 109.462 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.55 -157.21 53.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 26' ' ' LYS . 56.4 t0 -81.6 121.04 25.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.388 -1.066 . . . . 0.0 109.572 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.81 -29.21 70.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.819 . . . . 0.0 109.467 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -72.63 -20.01 61.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.336 -0.852 . . . . 0.0 110.631 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 23' ' ' ASP . 63.3 mttp -129.4 156.02 44.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.22 -0.925 . . . . 0.0 109.736 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -118.43 131.17 56.28 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.609 -0.682 . . . . 0.0 109.874 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' B' ' 29' ' ' LYS . 63.8 tttm -97.85 151.07 20.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 108.674 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ptpt -40.96 -38.53 0.99 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.396 -0.815 . . . . 0.0 109.878 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.8 p -64.77 -42.14 95.34 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.198 -0.939 . . . . 0.0 109.839 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 28' ' ' LYS . 89.3 mt-10 -69.92 -39.94 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.038 -1.039 . . . . 0.0 109.083 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.48 -38.24 90.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.32 -0.862 . . . . 0.0 109.481 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.74 -40.01 82.59 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 38' ' ' ASN . 54.0 tp10 -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -59.94 -48.86 79.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.447 -0.783 . . . . 0.0 109.174 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.0 110.856 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -84.32 -23.21 30.35 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.964 -1.085 . . . . 0.0 111.943 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLU . 48.0 t-20 -88.1 -34.01 18.06 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.376 -1.453 . . . . 0.0 111.176 -177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' C ' HD23 ' B' ' 40' ' ' LEU . 63.4 mm-40 -92.86 -14.96 27.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.706 -1.246 . . . . 0.0 110.295 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.753 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -162.12 75.24 0.45 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.728 -1.233 . . . . 0.0 110.474 179.66 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.9 -70.31 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.779 -1.201 . . . . 0.0 109.739 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -88.02 -33.09 18.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.956 . . . . 0.0 111.21 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -60.01 -40.01 87.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.972 -1.08 . . . . 0.0 109.199 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.3 tp -160.12 141.9 12.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' OE2' ' CH2' ' Y' ' 7' ' ' TRP . 30.7 mt-10 51.08 92.26 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.315 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.33 136.51 34.54 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.672 HD13 ' HE1' ' Y' ' 7' ' ' TRP . 3.0 mm -115.39 114.89 47.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.413 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.64 -14.2 7.8 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -124.57 156.49 37.3 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.564 0.697 . . . . 0.0 110.289 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -79.98 -13.99 58.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.06 -40.78 95.22 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 118.825 -1.15 . . . . 0.0 110.198 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.58 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.6 t -59.99 -49.3 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.083 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 52.9 m-20 -61.97 -43.83 98.03 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.099 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -69.93 -40.01 75.79 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.78 -1.168 . . . . 0.0 109.136 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.38 -38.51 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.9 tpt -70.6 -40.75 73.01 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.17 -32.17 73.64 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.742 -1.206 . . . . 0.0 107.742 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.3 m -63.93 -39.9 95.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.671 -0.643 . . . . 0.0 109.519 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 72' ' ' GLU . 9.8 mp -97.78 -47.64 5.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.424 -0.798 . . . . 0.0 109.265 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -74.83 51.37 0.49 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.51 -0.56 2.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -77.03 -33.99 57.33 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 10.83 83.48 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.089 -2.404 . . . . 0.0 107.089 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.9 p-10 -85.11 1.67 46.82 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.92 30.9 74.55 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.1 mt-10 -146.12 159.48 43.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.46 -1.024 . . . . 0.0 110.504 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.83 122.07 25.14 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -80.47 167.7 19.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.233 -0.917 . . . . 0.0 109.333 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 3.5 p90 -55.37 -40.34 71.19 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.001 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.28 -40.14 95.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.891 -1.131 . . . . 0.0 109.428 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.486 ' O ' HD23 ' B' ' 60' ' ' LEU . 79.8 mt-10 -69.92 -41.01 75.19 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CE2' ' OH ' ' B' ' 17' ' ' TYR . 2.6 t80 -64.09 -37.31 86.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.81 -33.73 72.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -27.93 66.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.139 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' B' ' 80' ' ' VAL . 58.6 t80 -60.09 -42.69 95.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.188 . . . . 0.0 108.476 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.53 -44.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.8 m -62.03 -40.4 95.6 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.986 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.2 ttp -66.19 -45.4 80.96 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' B' ' 76' ' ' PHE . 59.4 t -70.46 -36.59 67.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.689 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -62.53 -40.03 95.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.101 -0.999 . . . . 0.0 109.212 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.7 p -71.05 -39.99 71.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.52 -0.737 . . . . 0.0 110.33 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.91 -43.77 74.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.354 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.84 -48.83 78.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.48 -40.0 89.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.656 0.741 . . . . 0.0 109.206 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.88 -39.62 85.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.621 -0.675 . . . . 0.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.09 104.81 0.27 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.004 -1.06 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' O ' ' B' ' 89' ' ' GLU . 67.0 t80 -116.38 139.88 49.94 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.901 0.857 . . . . 0.0 108.931 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.486 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 86.1 tt0 -82.47 109.87 17.08 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.399 179.645 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' X' ' 4' ' ' LYS . 98.3 mtt180 -62.69 -40.65 97.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.256 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m 68.49 -6.52 0.8 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.653 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' X' ' 5' ' ' ILE . 0.2 OUTLIER -161.54 179.97 7.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -0.932 . . . . 0.0 109.291 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' X' ' 4' ' ' LYS . 1.0 OUTLIER -61.1 -139.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.584 ' OD2' ' ND2' ' X' ' 8' ' ' ASN . 44.0 t0 -141.25 135.69 30.92 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.759 -1.213 . . . . 0.0 109.733 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.6 ' HE1' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.474 -0.766 . . . . 0.0 110.277 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.584 ' ND2' ' OD2' ' X' ' 6' ' ' ASP . 15.5 p30 -55.3 -36.02 65.72 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.443 -1.41 . . . . 0.0 110.21 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' X' ' 8' ' ' ASN . 63.8 tttp -60.03 -45.79 91.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.057 -1.027 . . . . 0.0 110.223 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.404 HD11 HD11 ' X' ' 5' ' ' ILE . 86.8 mt -69.96 -40.01 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.217 -0.927 . . . . 0.0 111.131 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.98 -1.075 . . . . 0.0 109.204 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.276 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' Y' ' 4' ' ' LYS . 99.1 mtt180 -63.19 -39.95 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.183 -0.948 . . . . 0.0 109.23 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m 68.2 -6.84 0.71 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.553 -0.717 . . . . 0.0 109.781 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.2 OUTLIER -161.4 -179.99 7.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.199 179.489 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 1.0 OUTLIER -61.27 -139.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.313 -0.867 . . . . 0.0 108.841 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.586 ' OD2' ' ND2' ' Y' ' 8' ' ' ASN . 43.3 t0 -140.98 135.85 31.57 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.872 -1.143 . . . . 0.0 109.798 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.672 ' HE1' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.504 -0.747 . . . . 0.0 110.295 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.586 ' ND2' ' OD2' ' Y' ' 6' ' ' ASP . 15.9 p30 -55.36 -35.97 65.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.419 -1.425 . . . . 0.0 110.221 -178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' Y' ' 8' ' ' ASN . 63.5 tttp -60.11 -45.69 92.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.068 -1.02 . . . . 0.0 110.192 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.411 HD11 HD11 ' Y' ' 5' ' ' ILE . 84.8 mt -70.04 -40.1 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 111.027 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.86 -39.96 86.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.821 -1.175 . . . . 0.0 109.433 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.437 -179.796 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -67.75 -39.96 84.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.428 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.01 -30.45 69.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.824 -1.173 . . . . 0.0 109.871 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 97.3 mt-10 -59.91 -48.94 79.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.009 -1.057 . . . . 0.0 110.468 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.92 68.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.794 -1.191 . . . . 0.0 108.975 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.02 90.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -0.865 . . . . 0.0 109.357 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.06 -40.84 90.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.132 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.98 -40.07 81.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-O 121.795 0.807 . . . . 0.0 108.902 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.55 88.76 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.658 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.49 -40.0 92.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.863 -1.148 . . . . 0.0 109.895 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.14 -41.66 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.022 -1.048 . . . . 0.0 110.365 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -64.94 -42.96 94.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.589 -1.319 . . . . 0.0 109.619 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.19 -29.65 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.41 -0.806 . . . . 0.0 108.975 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.15 -48.32 82.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.403 -0.81 . . . . 0.0 109.79 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 27.0 m-70 -77.44 -25.16 50.38 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -0.928 . . . . 0.0 111.441 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.99 -40.33 88.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.716 -1.24 . . . . 0.0 111.812 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -107.74 -31.02 8.23 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.909 -1.119 . . . . 0.0 111.132 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -64.08 -40.0 95.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.907 -1.121 . . . . 0.0 109.987 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 1.63 88.36 Favored Glycine 0 N--CA 1.492 2.417 0 C-N-CA 120.262 -0.971 . . . . 0.0 110.74 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -66.37 -39.87 89.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.745 -1.444 . . . . 0.0 109.178 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' GLY . 99.7 mt-10 -128.38 174.14 9.58 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -57.19 -157.42 0.01 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 93.9 m-20 51.05 46.96 25.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.763 -1.434 . . . . 0.0 108.628 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -61.07 -32.94 72.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.4 -34.96 73.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 110.821 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 96.1 mttt -128.21 153.8 46.53 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.121 -0.987 . . . . 0.0 110.479 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.21 117.79 32.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.126 -0.984 . . . . 0.0 109.131 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.9 ttmm -82.38 155.28 24.8 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 8.3 mtmp? -42.77 -39.48 2.48 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.215 -0.928 . . . . 0.0 110.012 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -60.09 -43.45 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.915 . . . . 0.0 110.576 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.05 -40.05 75.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.733 -1.229 . . . . 0.0 108.725 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -39.68 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.53 -42.3 91.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.265 -0.897 . . . . 0.0 109.026 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -67.99 -39.8 83.2 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -50.96 71.94 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.631 -0.668 . . . . 0.0 109.911 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.02 -42.32 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.001 -1.062 . . . . 0.0 110.018 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -70.68 -26.11 63.29 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.379 -1.451 . . . . 0.0 110.958 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -87.85 -34.09 18.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.805 -1.185 . . . . 0.0 112.003 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' B' ' 4' ' ' GLU . 97.2 mt-10 -106.94 -32.85 7.71 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.859 -1.15 . . . . 0.0 111.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -99.99 19.38 16.35 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 96.7 p -44.08 -97.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 111.355 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' N ' ' OG ' ' A' ' 41' ' ' SER . 79.0 t60 -84.95 -21.87 29.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.918 . . . . 0.0 110.06 -178.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.89 -37.56 79.74 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.15 -0.968 . . . . 0.0 108.608 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' X' ' 7' ' ' TRP . 8.1 mt -142.05 -158.42 0.86 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.206 -0.934 . . . . 0.0 109.28 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.66 135.17 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.134 -0.979 . . . . 0.0 110.613 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 53.1 tp10 -98.81 122.74 42.44 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 52' ' ' VAL . 49.7 mm -91.05 110.01 21.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-O 121.822 0.82 . . . . 0.0 110.532 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -119.81 -12.05 9.27 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.61 145.16 48.61 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.592 0.71 . . . . 0.0 110.675 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -69.96 -22.11 63.19 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.3 pt-20 -59.97 -43.01 95.37 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.954 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 47' ' ' ILE . 43.8 t -60.01 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.69 -41.17 89.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.501 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.99 -41.31 74.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.654 -1.219 . . . . 0.0 109.075 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -69.96 -38.33 76.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.57 -31.5 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -70.07 -42.43 72.82 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.504 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 86.1 tt0 -60.03 -34.08 72.89 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' SD ' ' A' ' 79' ' ' MET . 94.3 m -70.15 -39.88 75.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.788 -0.57 . . . . 0.0 111.019 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.94 -52.85 2.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.6 t0 -80.72 59.7 3.74 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 45.1 mm-40 -66.05 4.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.636 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.4 m-20 -79.37 -29.84 42.29 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 105.893 -1.891 . . . . 0.0 105.893 177.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.4 11.92 81.3 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -88.11 0.01 56.53 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.93 30.13 72.38 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 108.149 -1.98 . . . . 0.0 108.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.8 mt-10 -143.43 157.11 44.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.548 -0.972 . . . . 0.0 110.291 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -130.06 122.1 27.71 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.89 167.74 20.14 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.362 -0.837 . . . . 0.0 109.255 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 28.5 p90 -55.79 -40.07 72.17 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 108.826 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.292 -0.88 . . . . 0.0 109.183 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -69.72 -38.36 76.85 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 110.414 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.24 -41.02 87.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.869 -1.144 . . . . 0.0 109.377 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.0 tpp -64.17 -31.62 72.88 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.968 -1.082 . . . . 0.0 108.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.44 -30.53 70.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.123 -0.986 . . . . 0.0 109.985 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.0 t80 -59.82 -40.08 87.21 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 108.856 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.63 -40.91 88.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.237 -0.915 . . . . 0.0 108.54 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -60.49 -46.46 90.03 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.477 0.656 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.401 ' SD ' HG21 ' A' ' 59' ' ' THR . 61.9 ttp -65.46 -42.24 92.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.827 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.5 t -80.0 -29.05 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.757 -1.214 . . . . 0.0 108.901 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.3 m -60.64 -40.04 90.52 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.095 -1.003 . . . . 0.0 108.921 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 p -71.16 -42.38 69.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.542 -0.723 . . . . 0.0 110.947 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.99 75.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.918 -1.114 . . . . 0.0 110.284 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.06 -42.8 99.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' NE2' ' B' ' 15' ' ' HIS . 8.5 t60 -69.94 -39.86 75.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.79 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -74.19 -5.49 42.18 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.432 -0.793 . . . . 0.0 110.527 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.98 -41.34 91.81 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.651 -1.28 . . . . 0.0 110.892 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.2 p90 -98.9 -165.29 1.22 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.738 -1.226 . . . . 0.0 108.425 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 52.56 43.4 31.17 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.924 0.868 . . . . 0.0 109.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -60.05 -40.05 88.09 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.077 179.503 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -67.76 -40.1 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.91 -30.55 69.11 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.826 -1.172 . . . . 0.0 109.918 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 97.1 mt-10 -59.95 -48.81 80.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.981 -1.075 . . . . 0.0 110.496 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -31.08 68.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.743 -1.223 . . . . 0.0 108.908 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.96 90.81 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.368 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.3 tpp -59.97 -40.89 90.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.23 -39.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.775 0.798 . . . . 0.0 108.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -67.05 -40.08 87.06 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.691 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.75 -40.07 91.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.899 -1.126 . . . . 0.0 109.882 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.11 -41.5 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -65.07 -42.45 94.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.585 -1.322 . . . . 0.0 109.801 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 9' ' ' ALA . 76.5 t -59.63 -29.84 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 108.928 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -58.75 -48.52 80.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.422 -0.799 . . . . 0.0 109.834 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.408 ' NE2' ' CE1' ' A' ' 85' ' ' HIS . 24.6 m-70 -77.39 -25.22 50.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.207 -0.933 . . . . 0.0 111.441 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.01 -40.49 89.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.662 -1.274 . . . . 0.0 111.785 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -107.64 -30.72 8.43 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.856 -1.152 . . . . 0.0 111.041 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -64.16 -40.07 95.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.817 -1.177 . . . . 0.0 110.053 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.25 1.52 88.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -66.32 -39.94 89.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.759 -1.436 . . . . 0.0 109.197 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 22' ' ' GLY . 99.6 mt-10 -128.36 173.95 9.74 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.505 -0.747 . . . . 0.0 108.989 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -57.06 -157.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' B' ' 26' ' ' LYS . 93.8 m-20 51.12 46.81 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.76 -1.435 . . . . 0.0 108.576 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.04 -32.94 72.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.868 . . . . 0.0 110.338 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.32 -35.0 73.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 110.752 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' B' ' 23' ' ' ASP . 93.8 mttt -128.43 153.88 46.64 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.151 -0.968 . . . . 0.0 110.487 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.16 117.98 32.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.165 -0.959 . . . . 0.0 109.108 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' B' ' 29' ' ' LYS . 18.9 ttmm -82.5 155.49 24.54 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.462 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 8.2 mtmp? -42.86 -39.64 2.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.25 -0.906 . . . . 0.0 109.962 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.07 -43.29 95.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.06 -40.08 75.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.75 -1.219 . . . . 0.0 108.673 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -39.88 91.45 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.39 -42.42 91.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.915 . . . . 0.0 108.894 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.82 -39.98 83.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.09 -51.13 71.38 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.607 -0.683 . . . . 0.0 109.952 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.02 -42.42 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.94 -1.1 . . . . 0.0 109.97 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.62 -26.02 63.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.374 -1.454 . . . . 0.0 110.885 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -87.84 -34.37 18.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.873 -1.142 . . . . 0.0 111.966 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 4' ' ' GLU . 97.1 mt-10 -107.07 -32.54 7.8 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.758 -1.214 . . . . 0.0 111.179 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -100.06 19.2 16.75 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.955 -1.091 . . . . 0.0 108.098 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.1 p -44.06 -97.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.466 -0.771 . . . . 0.0 111.46 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.515 ' N ' ' OG ' ' B' ' 41' ' ' SER . 78.4 t60 -85.18 -21.75 29.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.216 -0.928 . . . . 0.0 110.037 -178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 108.508 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.607 HD22 ' NE1' ' Y' ' 7' ' ' TRP . 8.5 mt -141.85 -158.74 0.89 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.186 -0.946 . . . . 0.0 109.246 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.49 135.07 2.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.97 . . . . 0.0 110.657 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.491 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . 53.4 tp10 -98.77 122.87 42.56 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 177.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.532 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -91.06 109.87 21.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-O 121.898 0.856 . . . . 0.0 110.503 -177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -119.68 -12.22 9.29 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -122.54 145.37 48.39 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.668 0.747 . . . . 0.0 110.657 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.02 -22.07 63.14 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.5 pt-20 -60.17 -42.79 95.72 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.847 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' B' ' 47' ' ' ILE . 49.4 t -60.11 -47.6 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.15 -40.81 88.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.454 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.01 -41.28 74.55 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.564 -1.254 . . . . 0.0 109.068 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.11 -38.26 75.57 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -70.79 -31.38 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.0 OUTLIER -70.03 -42.33 73.1 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.333 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.2 tt0 -60.11 -34.04 72.94 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.15 -39.78 75.15 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.234 0.54 . . . . 0.0 111.076 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.05 -52.97 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 109.177 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 24.5 t0 -80.72 59.96 3.84 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 44.6 mm-40 -66.29 4.34 0.74 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.509 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.5 m-20 -79.25 -30.1 42.98 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.68 11.79 81.13 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -88.06 0.01 56.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.8 30.42 72.58 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 108.222 -1.951 . . . . 0.0 108.222 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.8 mt-10 -143.58 156.98 44.75 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.488 -1.007 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.99 121.78 27.19 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.7 168.04 19.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.402 -0.811 . . . . 0.0 109.19 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 28.5 p90 -56.26 -40.0 73.51 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.245 -0.909 . . . . 0.0 108.804 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.598 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.8 tt0 -62.85 -40.11 96.45 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.315 -0.865 . . . . 0.0 108.925 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -69.95 -38.21 76.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.26 -0.9 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.42 87.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.844 -1.16 . . . . 0.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 55.7 tpp -64.35 -31.96 73.38 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.935 -1.103 . . . . 0.0 108.773 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.42 -30.22 69.92 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.094 -1.004 . . . . 0.0 109.904 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 80' ' ' VAL . 65.4 t80 -59.96 -39.99 87.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 108.797 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.463 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -61.69 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.209 -0.932 . . . . 0.0 108.599 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -60.66 -46.34 90.69 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.443 0.64 . . . . 0.0 110.034 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.76 -42.0 91.43 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.742 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 76' ' ' PHE . 20.8 t -79.97 -29.39 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.967 -1.083 . . . . 0.0 108.744 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.1 m -60.56 -40.0 90.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.069 -1.019 . . . . 0.0 108.978 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -42.34 68.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.511 -0.743 . . . . 0.0 110.973 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.77 76.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 110.334 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -42.81 99.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 15' ' ' HIS . 8.2 t60 -69.84 -39.98 76.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.544 -0.723 . . . . 0.0 109.8 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -74.06 -5.76 43.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.483 -0.761 . . . . 0.0 110.502 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.81 -41.25 90.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.645 -1.284 . . . . 0.0 110.964 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 p90 -98.99 -165.13 1.2 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.688 -1.258 . . . . 0.0 108.399 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 52.51 43.27 31.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.927 0.87 . . . . 0.0 109.066 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -59.84 -40.27 87.95 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.113 179.568 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' X' ' 2' ' ' ARG . 47.0 mtt-85 -97.46 5.6 49.44 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 26.9 p -59.94 -40.02 87.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.171 -0.955 . . . . 0.0 109.548 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.65 140.07 58.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.485 -0.76 . . . . 0.0 109.451 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.529 ' C ' HD12 ' X' ' 5' ' ' ILE . 2.8 pp -73.3 -172.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.134 -0.979 . . . . 0.0 109.587 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.473 ' N ' HD12 ' X' ' 5' ' ' ILE . 42.7 t0 -81.61 77.95 8.4 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.594 0.712 . . . . 0.0 111.157 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.6 ' CD1' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.6 -24.23 61.86 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -52.09 -45.71 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.959 -1.088 . . . . 0.0 109.274 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.34 -39.85 88.59 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 109.34 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.426 HD12 ' CD1' ' X' ' 7' ' ' TRP . 91.1 mt -60.1 -40.35 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.707 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.99 87.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.229 -0.919 . . . . 0.0 108.949 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.377 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 45.1 mtt-85 -97.24 5.58 49.8 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -60.13 -39.84 87.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.139 -0.976 . . . . 0.0 109.572 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.87 140.2 58.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.774 . . . . 0.0 109.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.512 HD12 ' C ' ' Y' ' 5' ' ' ILE . 2.8 pp -73.02 -172.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 121.202 -0.936 . . . . 0.0 109.574 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.469 ' N ' HD12 ' Y' ' 5' ' ' ILE . 43.1 t0 -81.89 78.18 8.63 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.618 0.723 . . . . 0.0 111.017 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.607 ' NE1' HD22 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -71.74 -24.24 61.75 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.051 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -52.17 -45.43 65.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -39.94 89.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.293 -0.88 . . . . 0.0 109.223 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 84.2 mt -59.97 -40.72 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.258 -0.901 . . . . 0.0 109.776 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.88 -39.71 86.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.277 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.346 179.779 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.362 0.601 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.99 -31.38 70.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.316 -0.865 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.62 -24.74 35.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.078 -1.014 . . . . 0.0 110.987 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 98.8 mt-10 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.767 -1.208 . . . . 0.0 110.912 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 10.6 pttp -68.48 -41.61 79.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.632 -1.292 . . . . 0.0 109.055 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 5' ' ' LYS . . . -70.31 -42.02 72.53 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.918 -0.488 . . . . 0.0 111.238 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.97 -41.64 92.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.738 -1.226 . . . . 0.0 108.332 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' GLU . 70.2 t -63.54 -40.04 87.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.02 91.53 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.2 -39.95 88.34 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.037 -1.039 . . . . 0.0 108.678 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.17 -40.01 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.36 -0.838 . . . . 0.0 109.11 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -70.08 -40.35 75.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.866 -1.146 . . . . 0.0 109.166 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG13 ' OE2' ' A' ' 39' ' ' GLU . 42.3 t -60.02 -39.71 81.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -49.05 -57.83 5.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.505 -0.747 . . . . 0.0 110.073 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.49 -22.75 58.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.209 -0.932 . . . . 0.0 111.33 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -55.64 -40.2 71.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.211 -0.93 . . . . 0.0 111.095 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -119.8 -24.16 6.24 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 121.129 -0.982 . . . . 0.0 110.722 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 m -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.826 -1.171 . . . . 0.0 110.308 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.99 1.91 37.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 20' ' ' ARG . 38.0 ttt-85 -60.05 -46.81 88.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -1.172 . . . . 0.0 109.622 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -167.13 172.08 10.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.383 -0.823 . . . . 0.0 108.892 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.11 -160.71 27.37 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.912 -1.117 . . . . 0.0 110.676 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 94.7 m-20 -90.27 0.88 57.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.6 -0.941 . . . . 0.0 110.467 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 4.4 tmtt? 80.3 -47.02 0.3 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.656 0.741 . . . . 0.0 109.345 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -72.51 -17.1 61.77 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.478 -0.764 . . . . 0.0 110.242 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -128.57 152.33 48.43 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.375 -0.828 . . . . 0.0 109.728 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.43 120.03 40.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.601 -0.687 . . . . 0.0 109.379 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -85.72 151.06 24.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.224 -0.922 . . . . 0.0 108.612 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.53 -39.96 8.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.459 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -39.95 87.7 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.097 -1.002 . . . . 0.0 109.265 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.037 -1.039 . . . . 0.0 109.101 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.32 -39.77 91.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.378 -0.826 . . . . 0.0 109.015 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -54.72 -40.04 68.82 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 108.631 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.97 -40.01 79.1 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.513 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.71 -50.0 75.52 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.898 . . . . 0.0 109.596 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.8 -45.7 80.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.393 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -74.13 -23.15 59.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.241 -1.537 . . . . 0.0 110.892 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 64.7 t-20 -86.79 -32.94 20.07 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.616 -1.302 . . . . 0.0 110.611 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HG13 ' A' ' 13' ' ' VAL . 99.5 mt-10 -105.93 -27.89 10.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.667 -1.271 . . . . 0.0 109.628 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 44' ' ' LEU . 28.3 mt -116.76 35.6 4.53 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 77.3 p -44.08 -91.99 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.291 -0.88 . . . . 0.0 110.175 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.436 ' N ' ' OG ' ' A' ' 41' ' ' SER . 95.2 m-70 -103.93 3.29 33.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.466 -0.771 . . . . 0.0 109.478 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.736 ' C ' HD12 ' A' ' 44' ' ' LEU . 88.4 m-85 -69.13 -40.0 78.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.224 -0.923 . . . . 0.0 109.485 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' HE1' ' X' ' 7' ' ' TRP . 8.6 mp -129.05 -98.79 0.35 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.413 -0.804 . . . . 0.0 109.36 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -91.28 133.07 35.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 109.734 -179.091 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 86.6 tt0 -92.54 119.67 32.24 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.18 118.48 44.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-O 122.064 0.935 . . . . 0.0 110.256 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.51 -9.79 1.9 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.31 151.99 43.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.701 . . . . 0.0 110.001 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASP . 18.0 pt20 -72.78 -18.83 61.45 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 110.754 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 16.1 t -68.25 -49.15 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.5 t -61.66 -41.47 90.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.265 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' GLN . 91.4 m-20 -70.0 -42.26 73.27 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.062 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -68.52 -39.23 81.29 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.05 -34.2 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 60.2 mmm -72.15 -40.01 68.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 109.199 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.01 -27.26 66.73 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' HD12 ' A' ' 60' ' ' LEU . 9.9 m -69.95 -38.89 76.28 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD11 ' SD ' ' A' ' 79' ' ' MET . 10.2 mp -105.31 -54.79 2.43 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.106 -0.996 . . . . 0.0 108.589 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.5 t0 -70.04 55.58 0.14 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -67.24 2.14 1.77 Allowed 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.0 m-20 -79.78 -31.7 40.86 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.99 10.23 84.23 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.346 -2.302 . . . . 0.0 107.346 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.9 p-10 -83.57 0.27 47.37 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.76 32.56 78.2 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -143.99 155.61 44.09 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.362 -1.081 . . . . 0.0 110.78 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.7 122.52 29.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.11 169.88 12.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.885 -1.134 . . . . 0.0 110.217 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 4.6 m-85 -48.16 -48.56 34.27 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.517 -0.74 . . . . 0.0 109.462 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.97 -40.98 90.95 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.37 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 60' ' ' LEU . 47.5 mt-10 -66.07 -41.33 90.87 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.695 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 1.7 t80 -63.67 -39.37 94.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.719 -1.238 . . . . 0.0 107.687 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.1 mmm -60.05 -38.48 82.93 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.71 71.72 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.954 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 80' ' ' VAL . 64.9 t80 -59.99 -43.34 95.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.033 -1.042 . . . . 0.0 109.36 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -59.98 -41.1 85.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -60.05 -40.43 89.38 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.718 -0.614 . . . . 0.0 109.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 60' ' ' LEU . 41.3 mtp -66.44 -44.6 82.42 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.699 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 76' ' ' PHE . 1.7 t -80.67 -30.05 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.08 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -65.69 -40.0 91.84 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -69.99 -39.96 75.59 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' X' ' 5' ' ' ILE . . . -68.83 -40.8 79.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.427 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.67 -40.0 76.66 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 108.878 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.98 -40.5 89.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.407 -0.808 . . . . 0.0 109.882 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.78 -40.01 90.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 110.002 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.12 107.34 2.27 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.966 -1.084 . . . . 0.0 109.015 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -170.57 146.26 2.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.468 -0.77 . . . . 0.0 108.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -98.78 108.76 21.53 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.304 -0.873 . . . . 0.0 109.372 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -64.23 -39.98 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.654 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.454 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.421 0.629 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -68.69 -31.31 70.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.325 -0.86 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.71 -24.7 36.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.038 -1.039 . . . . 0.0 110.941 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 98.9 mt-10 -59.98 -47.93 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.749 -1.219 . . . . 0.0 110.862 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' B' ' 6' ' ' ALA . 11.3 pttp -68.56 -41.59 79.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.584 -1.322 . . . . 0.0 109.123 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' B' ' 5' ' ' LYS . . . -70.37 -42.02 72.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.891 -0.506 . . . . 0.0 111.158 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.729 -1.232 . . . . 0.0 108.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.6 t -63.72 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.65 93.46 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.843 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.18 -40.02 88.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.961 -1.087 . . . . 0.0 108.672 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.11 -39.97 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.87 . . . . 0.0 109.109 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.853 -1.154 . . . . 0.0 109.161 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.584 HG13 ' OE2' ' B' ' 39' ' ' GLU . 41.2 t -59.97 -39.51 80.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -49.16 -57.77 6.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.553 -0.717 . . . . 0.0 110.143 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -74.55 -22.77 58.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.182 -0.949 . . . . 0.0 111.441 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -55.4 -40.45 71.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.92 . . . . 0.0 111.128 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -119.65 -24.32 6.26 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.077 -1.014 . . . . 0.0 110.732 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.8 m -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.838 -1.164 . . . . 0.0 110.331 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 1.78 37.14 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.5 ttt-85 -60.01 -46.78 88.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.236 -1.155 . . . . 0.0 109.701 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -167.21 172.04 10.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.397 -0.814 . . . . 0.0 108.889 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.05 -160.6 27.35 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.907 -1.121 . . . . 0.0 110.636 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 94.9 m-20 -90.37 0.99 57.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.63 -0.924 . . . . 0.0 110.525 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 4.2 tmtt? 80.27 -47.13 0.31 Allowed 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.634 0.731 . . . . 0.0 109.325 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -72.45 -17.38 61.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.592 -0.692 . . . . 0.0 110.241 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -128.59 152.66 48.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.346 -0.846 . . . . 0.0 109.8 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -112.24 120.1 40.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.685 -0.635 . . . . 0.0 109.452 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -86.14 150.99 24.03 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.26 -0.9 . . . . 0.0 108.664 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.48 -39.88 7.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.132 -0.98 . . . . 0.0 109.523 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.6 m -60.02 -40.0 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.075 -1.015 . . . . 0.0 109.183 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.06 -39.96 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 109.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.12 -39.94 91.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -54.78 -39.96 68.95 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 108.626 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.95 -40.02 79.17 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.274 -0.97 . . . . 0.0 108.541 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.79 -50.05 75.38 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.28 -0.888 . . . . 0.0 109.57 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -68.78 -45.5 80.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.4 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -74.33 -23.18 59.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.276 -1.515 . . . . 0.0 110.952 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' B' ' 38' ' ' ASN . 64.6 t-20 -86.77 -32.91 20.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.632 -1.293 . . . . 0.0 110.577 -178.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.584 ' OE2' HG13 ' B' ' 13' ' ' VAL . 99.8 mt-10 -105.81 -28.16 10.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.755 -1.216 . . . . 0.0 109.648 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.543 HD22 HD13 ' B' ' 44' ' ' LEU . 27.4 mt -116.62 35.82 4.41 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 77.2 p -44.15 -91.81 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.273 -0.892 . . . . 0.0 110.213 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.433 ' N ' ' OG ' ' B' ' 41' ' ' SER . 95.4 m-70 -104.0 3.21 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.432 -0.793 . . . . 0.0 109.435 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.727 ' C ' HD12 ' B' ' 44' ' ' LEU . 89.3 m-85 -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 109.497 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.792 HD23 ' HE1' ' Y' ' 7' ' ' TRP . 8.4 mp -129.01 -98.78 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -91.22 132.91 35.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.56 -0.712 . . . . 0.0 109.772 -179.015 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -92.33 119.66 32.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.26 118.48 44.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 122.046 0.927 . . . . 0.0 110.187 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.493 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.38 -9.8 1.94 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.503 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -124.32 152.01 43.61 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.548 -0.72 . . . . 0.0 109.959 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' B' ' 54' ' ' ASP . 18.0 pt20 -72.8 -18.77 61.44 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.726 -0.609 . . . . 0.0 110.68 -177.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' B' ' 51' ' ' GLU . 16.2 t -68.55 -48.81 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.04 -41.42 91.02 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.232 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 91.4 m-20 -70.02 -42.34 73.1 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.979 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -68.37 -39.3 81.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.98 -34.31 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.3 mmm -71.99 -40.08 68.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.0 109.211 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -27.25 66.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.47 -1.394 . . . . 0.0 107.253 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.436 ' C ' HD12 ' B' ' 60' ' ' LEU . 10.0 m -70.04 -38.77 75.93 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.965 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.587 HD11 ' SD ' ' B' ' 79' ' ' MET . 10.1 mp -105.43 -54.84 2.42 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.164 -0.96 . . . . 0.0 108.593 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.9 t0 -70.06 55.69 0.14 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.0 mt-10 -67.46 2.46 1.74 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.7 m-20 -79.85 -31.7 40.5 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.8 10.25 84.41 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.1 p-10 -83.5 0.26 47.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.72 32.6 78.45 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.6 mt-10 -143.94 155.6 44.11 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.329 -1.101 . . . . 0.0 110.77 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -129.52 122.42 29.2 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.15 169.31 12.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.85 -1.156 . . . . 0.0 110.26 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 4.6 m-85 -47.57 -48.7 27.85 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.571 -0.705 . . . . 0.0 109.518 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.553 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -60.01 -40.72 90.22 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.373 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 60' ' ' LEU . 47.3 mt-10 -66.37 -41.31 89.61 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.576 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 1.6 t80 -63.52 -39.43 94.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.721 -1.237 . . . . 0.0 107.755 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.5 mmm -60.07 -38.64 83.45 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.86 71.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.0 -1.063 . . . . 0.0 110.006 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' B' ' 80' ' ' VAL . 64.9 t80 -60.06 -43.03 95.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.357 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.7 OUTLIER -60.0 -41.48 86.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.9 t -60.13 -40.2 88.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.754 -0.592 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.587 ' SD ' HD11 ' B' ' 60' ' ' LEU . 37.8 mtp -66.66 -44.26 82.31 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.675 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' B' ' 76' ' ' PHE . 1.8 t -80.87 -29.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.875 -1.141 . . . . 0.0 109.145 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.2 m -65.65 -40.04 92.04 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 p -69.93 -40.0 75.77 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' Y' ' 5' ' ' ILE . . . -69.07 -40.31 78.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 50.6 t -69.97 -39.99 75.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.0 108.872 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.07 -40.27 88.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.87 -40.05 91.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.98 -1.075 . . . . 0.0 109.997 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -67.16 107.34 2.29 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.071 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -170.49 146.02 2.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.48 108.88 21.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.28 -0.888 . . . . 0.0 109.413 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -64.3 -39.95 94.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.485 -0.759 . . . . 0.0 109.689 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.438 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.405 ' N ' ' OG1' ' X' ' 1' ' ' THR . 98.1 mtt180 -60.13 -40.02 88.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 110.103 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -59.98 140.5 56.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.632 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -102.25 170.28 8.18 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.495 -0.753 . . . . 0.0 110.136 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.498 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pp -60.04 -45.26 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 109.442 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' X' ' 5' ' ' ILE . 2.3 m-20 162.47 38.96 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.84 ' HE1' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.93 -24.48 64.39 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.441 -0.787 . . . . 0.0 109.156 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -56.82 -39.95 75.15 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.923 -1.111 . . . . 0.0 108.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -61.11 -39.51 90.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' X' ' 7' ' ' TRP . 58.1 mt -59.97 -40.06 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.566 -0.709 . . . . 0.0 110.043 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.51 -39.58 84.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 108.406 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.6 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.415 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 98.6 mtt180 -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.0 109.999 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.406 ' H ' HG22 ' Y' ' 3' ' ' THR . 1.5 t -59.97 140.34 56.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.055 -1.028 . . . . 0.0 109.531 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -102.19 170.46 8.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.565 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.8 pp -59.92 -46.02 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.573 -0.704 . . . . 0.0 109.412 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.565 ' N ' HD12 ' Y' ' 5' ' ' ILE . 2.2 m-20 163.31 39.13 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.792 ' HE1' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -59.97 -24.45 64.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.527 -0.733 . . . . 0.0 109.164 -179.746 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.91 -40.05 75.58 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.902 -1.124 . . . . 0.0 108.339 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -61.19 -39.32 89.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.505 -0.747 . . . . 0.0 109.306 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.443 HD12 ' CG ' ' Y' ' 7' ' ' TRP . 59.2 mt -60.0 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.614 -0.679 . . . . 0.0 110.118 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.85 -38.85 83.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.694 -1.253 . . . . 0.0 108.408 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.566 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.327 -0.858 . . . . 0.0 108.931 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.93 -19.46 1.02 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.934 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.4 tt0 -59.98 -50.82 72.24 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.785 -1.197 . . . . 0.0 110.086 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -71.1 -39.99 71.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.458 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.76 96.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.0 tpp -59.98 -44.65 94.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.043 . . . . 0.0 109.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 4' ' ' GLU . 92.8 t -60.18 -40.05 82.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.495 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.05 -41.4 92.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.933 -1.105 . . . . 0.0 109.679 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.79 -41.37 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.892 -1.13 . . . . 0.0 108.758 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.5 -39.52 81.23 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.157 -0.964 . . . . 0.0 109.141 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.93 -39.92 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -47.78 -54.21 13.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.381 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.65 -22.87 46.21 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.251 -0.906 . . . . 0.0 111.701 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -59.99 -46.21 90.2 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 111.395 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 38.4 p90 -102.39 -33.48 9.54 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.904 -1.123 . . . . 0.0 110.475 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.7 p -62.71 -39.09 92.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.046 -1.034 . . . . 0.0 111.283 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.65 1.85 65.54 Favored Glycine 0 N--CA 1.494 2.533 0 C-N-CA 119.915 -1.136 . . . . 0.0 111.315 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 20' ' ' ARG . 50.2 mtt-85 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.608 -1.525 . . . . 0.0 110.782 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -161.73 158.28 25.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.734 -1.229 . . . . 0.0 110.086 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -164.65 51.42 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.31 140.58 31.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.479 -1.013 . . . . 0.0 109.77 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -68.36 -26.24 65.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.428 -0.795 . . . . 0.0 110.048 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.13 -35.6 69.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.842 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -124.54 160.17 28.96 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.171 -0.956 . . . . 0.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -118.95 122.62 42.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.81 -0.556 . . . . 0.0 110.86 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 79.4 tttt -86.9 148.21 25.45 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.8 ptpt -42.21 -34.85 0.82 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.192 -0.943 . . . . 0.0 110.046 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -62.37 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.921 -1.112 . . . . 0.0 108.913 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' LYS . 49.9 mt-10 -69.24 -40.02 78.13 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -52.0 -39.94 60.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 68.1 mm-40 -71.02 -40.33 71.82 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.707 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 110.571 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.12 -41.5 79.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.903 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -84.84 -22.39 29.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.183 -1.573 . . . . 0.0 111.079 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 57.9 t-20 -86.81 -42.59 13.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.559 -1.338 . . . . 0.0 110.436 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -83.68 -37.09 23.2 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.719 -1.238 . . . . 0.0 108.622 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 45' ' ' GLU . 19.4 mt -119.57 73.73 0.97 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 45' ' ' GLU . 61.8 m -65.85 -74.68 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 109.694 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -129.57 -14.04 4.2 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.361 -0.837 . . . . 0.0 109.351 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.03 -40.81 90.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 110.603 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.11 -50.01 1.93 Allowed 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 110.138 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 41' ' ' SER . 85.2 mt-10 -130.3 132.43 45.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.378 -0.826 . . . . 0.0 111.584 -177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -115.62 117.45 30.34 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.14 133.79 33.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.413 1.101 . . . . 0.0 108.721 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.2 -25.04 1.07 Allowed 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -179.128 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.54 143.92 49.89 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.633 0.73 . . . . 0.0 110.445 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.51 -17.98 63.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.9 pt-20 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.678 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.3 t -60.83 -51.6 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.76 -45.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.287 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.73 -39.97 84.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.874 -1.141 . . . . 0.0 109.348 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -67.8 -38.7 83.65 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' VAL . 50.5 t -66.69 -38.01 80.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 65.3 mmm -70.68 -42.3 70.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.293 -0.879 . . . . 0.0 109.074 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.37 -30.49 69.59 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.52 -1.362 . . . . 0.0 107.854 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.988 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 64.5 mt -106.22 -52.26 2.83 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.226 -0.921 . . . . 0.0 109.859 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.3 t0 -72.04 54.29 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 98.9 mt-10 -67.58 5.19 0.85 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.584 0.707 . . . . 0.0 109.375 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.5 m-20 -80.67 -28.79 36.7 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.53 87.55 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 107.764 -2.134 . . . . 0.0 107.764 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 p-10 -85.72 2.75 44.17 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.19 33.16 82.1 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.9 mt-10 -143.9 153.81 42.69 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.275 -1.132 . . . . 0.0 110.719 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 9.0 t -130.36 123.54 30.17 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.575 -0.703 . . . . 0.0 109.127 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.84 171.13 9.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.087 -1.008 . . . . 0.0 109.652 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 3.8 m-85 -48.31 -49.85 32.4 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.572 -0.705 . . . . 0.0 109.501 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.98 -43.61 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.01 -39.99 75.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.419 ' CE ' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -58.44 -33.81 70.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 108.937 -178.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -69.25 -27.47 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.971 -1.081 . . . . 0.0 109.475 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.026 . . . . 0.0 109.239 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -68.22 -40.05 82.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.125 -0.984 . . . . 0.0 108.754 -179.643 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -65.16 -42.76 93.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.597 -0.689 . . . . 0.0 111.321 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ptm -69.93 -40.48 75.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.498 -1.376 . . . . 0.0 109.55 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.21 -39.59 77.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.664 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.444 HG21 ' CE ' ' B' ' 74' ' ' MET . 93.1 m -67.83 -39.97 83.82 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 m -68.79 -40.01 79.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.58 -0.7 . . . . 0.0 109.167 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.03 78.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 111.013 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 23.2 p -65.69 -42.28 91.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.884 -1.135 . . . . 0.0 109.563 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 51.5 t-80 -60.35 -39.96 89.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 0.0 110.095 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.6 -39.99 86.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.06 101.99 1.23 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 109.214 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 67.9 t80 -130.82 -5.98 4.03 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.326 -0.859 . . . . 0.0 109.689 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.32 113.26 25.48 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 109.188 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -60.01 -39.96 87.61 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.776 -0.578 . . . . 0.0 109.485 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.519 179.734 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.386 0.612 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.97 -40.01 87.63 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.35 -0.844 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.18 -19.27 1.12 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.013 . . . . 0.0 109.871 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.0 tt0 -60.07 -50.76 72.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 110.12 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -71.04 -39.99 71.98 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.932 -1.105 . . . . 0.0 109.526 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.6 95.7 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.415 -0.803 . . . . 0.0 110.234 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.97 -44.49 94.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.951 -1.093 . . . . 0.0 109.676 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 4' ' ' GLU . 88.6 t -60.29 -40.03 82.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.61 92.35 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.31 -41.83 94.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.968 -1.082 . . . . 0.0 109.607 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.37 -41.56 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.992 -1.068 . . . . 0.0 108.723 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.49 -39.57 81.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.134 -0.979 . . . . 0.0 109.141 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.81 -39.99 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.648 ' CZ ' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -47.65 -54.37 12.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.315 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.44 -22.87 47.0 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 111.864 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.04 -46.19 90.33 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 111.435 -177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.543 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.1 p90 -102.42 -33.72 9.44 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.889 -1.132 . . . . 0.0 110.491 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 55.0 p -62.28 -39.3 92.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.029 -1.045 . . . . 0.0 111.19 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 1.04 65.01 Favored Glycine 0 N--CA 1.494 2.518 0 O-C-N 120.962 -1.086 . . . . 0.0 111.453 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' B' ' 20' ' ' ARG . 50.1 mtt-85 -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.627 -1.513 . . . . 0.0 110.871 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -161.54 158.32 26.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.686 -1.259 . . . . 0.0 110.091 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.01 -164.55 51.58 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.29 140.71 31.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.55 -0.97 . . . . 0.0 109.714 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -68.48 -26.18 65.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.409 -0.807 . . . . 0.0 110.028 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.18 -35.58 69.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.848 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -124.56 160.38 28.51 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -119.26 122.75 42.62 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.878 -0.514 . . . . 0.0 110.778 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' GLU . 80.0 tttt -87.11 148.26 25.3 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.7 ptpt -42.09 -34.87 0.79 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.258 -0.901 . . . . 0.0 110.037 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -62.33 -40.2 95.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.999 -1.063 . . . . 0.0 108.894 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 28' ' ' LYS . 49.6 mt-10 -69.28 -40.03 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.12 -37.68 83.63 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -52.25 -39.99 61.09 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 68.4 mm-40 -70.85 -40.58 72.27 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.615 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.955 -1.09 . . . . 0.0 110.634 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.0 -41.52 79.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.872 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.81 -22.44 29.51 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.202 -1.561 . . . . 0.0 111.105 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 57.9 t-20 -86.77 -42.6 13.19 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.541 -1.35 . . . . 0.0 110.449 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -83.62 -37.21 23.18 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.636 -1.29 . . . . 0.0 108.636 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' GLU . 19.3 mt -119.5 73.69 0.97 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 45' ' ' GLU . 39.8 m -66.35 -74.09 0.12 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.931 -1.106 . . . . 0.0 109.672 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -129.3 -14.35 4.29 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.01 -40.96 91.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.391 -0.818 . . . . 0.0 110.623 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.03 -50.07 1.94 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.122 -0.986 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 41' ' ' SER . 85.2 mt-10 -130.36 132.69 45.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.297 -0.877 . . . . 0.0 111.463 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -115.96 117.25 29.62 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.84 133.96 33.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-O 122.428 1.108 . . . . 0.0 108.83 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.31 -25.09 1.06 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -123.5 143.99 49.82 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.646 0.736 . . . . 0.0 110.366 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -69.79 -17.88 63.44 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.94 -40.14 87.94 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.704 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 56' ' ' VAL . 3.1 t -60.8 -51.73 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.68 -45.69 97.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.321 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.68 -39.95 84.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 0.0 109.324 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -67.79 -38.86 83.91 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.0 t -66.41 -38.26 81.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.56 -42.42 71.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 109.114 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.35 -30.38 69.51 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.472 -1.392 . . . . 0.0 107.846 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.986 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' B' ' 75' ' ' ALA . 67.2 mt -106.03 -52.37 2.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.237 -0.914 . . . . 0.0 109.855 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.7 t0 -72.07 54.19 0.28 Allowed 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 60' ' ' LEU . 98.9 mt-10 -67.57 5.16 0.86 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.603 0.716 . . . . 0.0 109.337 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -80.53 -28.81 37.26 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 8.76 87.38 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.727 -2.149 . . . . 0.0 107.727 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 44.0 p-10 -86.14 3.16 43.95 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.467 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.64 33.72 85.31 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.596 -1.802 . . . . 0.0 108.596 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.3 mt-10 -144.13 153.75 42.47 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.372 -1.075 . . . . 0.0 110.681 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.6 t -130.4 123.37 29.7 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.55 171.34 9.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.648 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 3.8 m-85 -48.49 -49.7 34.71 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.564 0.697 . . . . 0.0 109.512 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -60.01 -43.68 95.08 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.841 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.97 -1.081 . . . . 0.0 109.02 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.06 -36.84 85.32 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 81' ' ' THR . 0.0 OUTLIER -58.49 -33.7 70.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.363 -0.836 . . . . 0.0 108.919 -178.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' B' ' 60' ' ' LEU . . . -69.17 -27.66 65.72 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.992 -1.067 . . . . 0.0 109.468 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.03 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 109.203 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.455 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.04 -39.93 82.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.112 -0.992 . . . . 0.0 108.8 -179.715 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 73.3 p -65.34 -42.53 92.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 14.3 ptm -70.03 -40.61 75.08 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.473 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.2 -39.45 76.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.624 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 74' ' ' MET . 94.4 m -67.92 -40.01 83.46 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.9 m -68.78 -39.99 79.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.627 -0.671 . . . . 0.0 109.35 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.91 78.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.243 -0.911 . . . . 0.0 110.983 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 21.9 p -65.98 -42.21 90.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.843 -1.16 . . . . 0.0 109.614 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 51.5 t-80 -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 110.127 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -39.96 86.8 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -68.07 102.13 1.26 Allowed 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.078 -1.014 . . . . 0.0 109.208 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 64.8 t80 -131.04 -6.0 3.91 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.379 -0.826 . . . . 0.0 109.626 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -91.09 113.37 25.62 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.119 -0.988 . . . . 0.0 109.227 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -59.96 -40.02 87.59 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.38 0.61 . . . . 0.0 109.48 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.464 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.25 79.54 7.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.123 -0.986 . . . . 0.0 108.828 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 76.3 p -77.59 -17.48 57.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.46 -0.775 . . . . 0.0 109.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -69.66 148.09 49.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.153 -0.967 . . . . 0.0 109.877 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.468 HG13 ' H ' ' X' ' 5' ' ' ILE . 1.9 pp -96.86 -163.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.603 0.716 . . . . 0.0 109.187 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -98.53 119.64 37.59 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.814 0.816 . . . . 0.0 110.925 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -39.95 93.52 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.421 0.629 . . . . 0.0 109.378 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' X' ' 9' ' ' LYS . 15.7 p30 -54.5 -38.72 66.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.112 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' X' ' 8' ' ' ASN . 7.2 ttpm? -60.02 -42.31 94.05 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.077 -1.014 . . . . 0.0 109.936 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.02 -40.04 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.079 -1.013 . . . . 0.0 110.506 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.009 -1.057 . . . . 0.0 109.047 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.606 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -81.13 79.36 7.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 108.853 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -77.28 -17.77 58.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.708 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -69.61 148.21 49.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.162 -0.961 . . . . 0.0 109.827 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.421 ' H ' HG13 ' Y' ' 5' ' ' ILE . 1.8 pp -97.24 -162.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -98.72 119.56 37.66 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.833 0.825 . . . . 0.0 111.003 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -40.0 93.46 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.426 0.632 . . . . 0.0 109.416 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' Y' ' 9' ' ' LYS . 16.4 p30 -54.58 -38.52 66.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.19 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' Y' ' 8' ' ' ASN . 7.2 ttpm? -60.01 -42.66 94.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.094 -1.004 . . . . 0.0 109.922 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.93 -40.03 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.074 -1.016 . . . . 0.0 110.489 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -39.61 86.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.87 -1.144 . . . . 0.0 109.017 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.63 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.48 0.657 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -17.83 63.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -50.02 -23.42 2.05 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.94 -1.1 . . . . 0.0 108.733 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.23 -52.14 50.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.509 -0.744 . . . . 0.0 110.226 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.77 -29.99 65.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.92 -1.112 . . . . 0.0 110.052 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.92 45.75 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.17 -42.22 94.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.739 -1.225 . . . . 0.0 110.279 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 m -60.81 -39.26 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.09 . . . . 0.0 108.935 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.31 93.26 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.093 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.36 -41.58 93.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.198 -0.938 . . . . 0.0 108.981 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.08 -45.76 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 108.867 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -71.32 -40.06 71.02 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.234 -0.917 . . . . 0.0 109.954 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.97 -33.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CG ' ' CE2' ' A' ' 70' ' ' PHE . 89.3 t80 -59.3 -46.45 88.52 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.372 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -79.87 -22.49 42.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 111.147 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -60.1 -44.56 94.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.014 -1.054 . . . . 0.0 110.886 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 42.6 p90 -105.91 -26.89 11.51 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.108 -0.995 . . . . 0.0 110.69 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 t -60.09 -39.04 84.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.46 -1.4 . . . . 0.0 109.693 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.49 3.22 6.35 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 20' ' ' ARG . 16.9 ttt-85 -60.36 -40.16 89.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -1.143 . . . . 0.0 109.73 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 22' ' ' GLY . 97.4 mt-10 -134.45 163.61 29.3 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.332 -0.855 . . . . 0.0 109.627 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -54.69 -169.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 55.79 50.81 13.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.992 -1.299 . . . . 0.0 109.048 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.39 -25.87 66.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.642 -0.661 . . . . 0.0 110.556 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -70.13 -21.41 63.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 109.881 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -131.32 158.32 40.98 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.342 -0.849 . . . . 0.0 109.8 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.03 138.95 47.97 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.9 ttmm -103.38 154.13 19.73 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 7.8 mtmp? -41.67 -42.73 2.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.382 -0.824 . . . . 0.0 109.828 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -60.81 -40.11 91.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.447 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.4 mt-10 -68.23 -39.99 82.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.183 -0.948 . . . . 0.0 109.263 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -65.45 -39.02 91.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.025 . . . . 0.0 108.536 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.64 -39.83 71.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -69.28 -40.19 77.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.34 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 17.9 tp -59.98 -49.95 75.65 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.647 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.11 -41.4 84.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 110.286 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.67 -24.58 45.05 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.822 -1.174 . . . . 0.0 110.982 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -88.05 -21.77 24.57 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.863 -1.148 . . . . 0.0 110.795 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 21.6 mp0 -109.0 -32.3 7.3 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.925 -1.109 . . . . 0.0 109.409 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' GLU . 22.3 mt -113.43 45.24 1.43 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.449 -0.782 . . . . 0.0 108.963 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -59.92 -53.71 54.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 109.948 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -130.33 -8.3 4.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.502 -0.749 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -62.48 -44.91 95.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.1 -1.0 . . . . 0.0 109.254 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.09 -99.59 0.33 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.568 -0.708 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' CG ' ' NE1' ' X' ' 7' ' ' TRP . 0.6 OUTLIER -97.42 141.61 30.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.112 -0.992 . . . . 0.0 111.113 -179.183 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 86.2 tt0 -100.81 119.03 38.05 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.496 HG21 HG23 ' A' ' 53' ' ' VAL . 21.9 mm -90.17 109.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 122.026 0.917 . . . . 0.0 110.97 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -122.33 -14.4 7.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.808 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 80.4 tt0 -124.03 137.47 54.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.631 -0.668 . . . . 0.0 109.979 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -61.63 -25.31 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 15.8 pt-20 -52.45 -42.07 63.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.826 . . . . 0.0 109.783 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.9 t -64.95 -49.84 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.496 HG23 HG21 ' A' ' 47' ' ' ILE . 2.4 t -61.2 -48.28 89.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.363 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.85 -43.74 97.93 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.171 -0.956 . . . . 0.0 109.513 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -70.03 -36.19 74.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.809 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.6 t -72.65 -31.31 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -70.25 -40.03 74.68 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.546 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -68.99 -39.47 79.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.748 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.95 -52.68 3.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.253 -0.904 . . . . 0.0 109.285 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.1 t0 -79.91 57.16 2.52 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -68.42 1.31 3.12 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.1 m-20 -76.43 -34.22 58.79 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 10.87 70.15 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.4 p-10 -84.47 3.15 37.66 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.12 33.95 86.12 Favored Glycine 0 N--CA 1.483 1.804 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.3 mt-10 -145.68 159.64 42.86 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.362 -1.081 . . . . 0.0 110.608 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.01 127.72 36.82 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -89.17 170.74 10.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 14' ' ' PHE . 3.1 t80 -49.57 -48.26 48.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.333 -0.854 . . . . 0.0 109.294 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -60.2 -39.98 88.44 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 110.09 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.35 -39.3 81.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.059 -1.025 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.98 -40.76 90.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 108.86 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.7 mmm -60.87 -38.82 86.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.43 70.3 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.177 -0.952 . . . . 0.0 110.396 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -59.68 -40.21 87.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.633 -1.292 . . . . 0.0 108.061 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -66.24 -40.17 86.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 107.661 -1.236 . . . . 0.0 107.661 178.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.7 t -62.57 -46.63 87.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.669 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -69.58 -40.09 76.94 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.292 -1.363 . . . . 0.0 110.019 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.64 -34.86 29.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.02 -1.05 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' VAL . 51.6 m -69.26 -39.82 78.19 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' SER . 92.6 m -66.66 -40.05 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' X' ' 5' ' ' ILE . . . -60.33 -45.04 94.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.065 -1.022 . . . . 0.0 109.067 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.6 t -62.1 -47.42 84.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.842 . . . . 0.0 108.962 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.15 -39.89 87.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.448 -0.782 . . . . 0.0 108.925 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 86.2 tt0 -60.19 -40.03 88.6 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.98 107.6 0.89 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' CD2' ' O ' ' A' ' 86' ' ' GLU . 87.7 m-85 -89.65 120.04 30.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.12 107.36 7.14 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.389 -0.819 . . . . 0.0 109.074 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -60.67 -40.36 91.8 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.489 0.661 . . . . 0.0 109.841 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.92 -178.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.426 0.631 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.2 -17.92 64.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.66 -23.38 1.7 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 108.767 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -66.64 -51.91 50.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -71.74 -30.01 65.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.965 -1.085 . . . . 0.0 109.992 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.3 -40.02 45.83 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 110.379 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.4 ttm -59.91 -42.55 94.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.888 -1.132 . . . . 0.0 110.244 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -60.88 -39.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.138 -0.977 . . . . 0.0 108.936 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.86 93.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.9 -41.24 91.74 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.218 -0.926 . . . . 0.0 108.766 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.21 -45.77 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 108.75 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.06 -40.34 71.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 0.0 110.053 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -60.13 -32.81 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.455 ' CG ' ' CE2' ' B' ' 70' ' ' PHE . 88.7 t80 -58.7 -47.18 85.44 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.272 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.57 -22.73 43.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 111.273 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.88 -44.53 94.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.96 -1.088 . . . . 0.0 110.965 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 41.5 p90 -105.82 -26.87 11.57 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.079 -1.013 . . . . 0.0 110.809 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -60.21 -38.97 84.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.408 -1.432 . . . . 0.0 109.801 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.61 2.88 6.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 20' ' ' ARG . 17.4 ttt-85 -60.21 -39.86 88.08 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.359 -1.083 . . . . 0.0 109.672 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 22' ' ' GLY . 96.6 mt-10 -134.26 163.28 29.99 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.384 -0.823 . . . . 0.0 109.518 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.05 -169.11 0.05 OUTLIER Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 56.11 50.47 13.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -1.227 . . . . 0.0 108.942 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.08 -26.35 66.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.608 -0.683 . . . . 0.0 110.619 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -69.96 -21.12 63.28 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.921 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.25 158.11 41.46 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.3 -0.875 . . . . 0.0 109.755 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -111.9 139.06 47.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.6 ttmm -103.39 154.12 19.75 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 7.8 mtmp? -41.89 -43.21 2.97 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.385 -0.822 . . . . 0.0 109.609 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -60.45 -40.09 89.89 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 109.693 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 46.9 mt-10 -68.12 -39.87 82.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 109.337 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.8 -39.71 94.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.186 -0.946 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.58 -39.92 71.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 38' ' ' ASN . 50.1 tp10 -68.95 -40.72 78.77 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.526 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.518 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 16.0 tp -59.91 -50.03 75.39 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.83 -41.36 84.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 O-C-N 120.771 -1.206 . . . . 0.0 110.408 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.74 -24.62 44.71 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.0 110.929 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' B' ' 34' ' ' GLU . 18.8 t-20 -87.94 -21.68 24.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.797 -1.189 . . . . 0.0 110.939 -178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 22.8 mp0 -109.39 -31.78 7.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.929 -1.107 . . . . 0.0 109.383 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' B' ' 45' ' ' GLU . 22.5 mt -113.68 44.85 1.53 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -59.97 -53.67 55.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.915 -1.115 . . . . 0.0 109.973 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -130.23 -8.23 4.28 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.411 -0.806 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -62.6 -44.73 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 109.393 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.1 -99.64 0.33 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.518 -0.739 . . . . 0.0 109.117 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' NE1' ' Y' ' 7' ' ' TRP . 0.7 OUTLIER -97.75 142.55 29.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.08 -1.012 . . . . 0.0 110.982 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -101.25 119.37 38.65 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 53' ' ' VAL . 22.1 mm -90.22 110.04 21.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.995 0.902 . . . . 0.0 110.852 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -122.47 -14.1 7.88 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.699 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.7 tt0 -123.88 137.83 54.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.613 -0.68 . . . . 0.0 109.915 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -62.26 -25.21 67.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.355 -0.84 . . . . 0.0 110.065 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.533 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 15.6 pt-20 -52.37 -42.5 64.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.852 . . . . 0.0 109.651 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' ' 56' ' ' VAL . 1.6 t -64.56 -49.75 79.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG23 HG21 ' B' ' 47' ' ' ILE . 2.3 t -61.39 -48.13 90.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.72 -44.39 96.69 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.323 -0.86 . . . . 0.0 109.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -69.77 -35.73 75.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.244 -0.91 . . . . 0.0 109.09 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 52' ' ' VAL . 55.4 t -73.26 -31.08 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.574 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.2 OUTLIER -70.26 -40.2 74.52 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.459 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.03 -31.74 70.25 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -39.31 78.31 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -102.79 -52.93 2.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 109.162 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.2 t0 -79.78 57.08 2.44 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -68.2 1.08 3.09 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.2 m-20 -76.24 -34.61 59.19 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.09 69.54 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.0 p-10 -84.5 3.23 37.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.06 33.81 85.5 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.3 mt-10 -145.58 159.56 42.95 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.369 -1.077 . . . . 0.0 110.834 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -132.0 127.7 36.81 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -89.25 170.72 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.451 -0.781 . . . . 0.0 109.508 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE2' ' CG ' ' B' ' 14' ' ' PHE . 3.3 t80 -49.6 -48.27 49.02 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.326 -0.859 . . . . 0.0 109.225 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.1 -39.8 87.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 110.114 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.79 -38.85 80.28 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.956 -1.09 . . . . 0.0 109.388 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.04 -41.44 92.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 108.526 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.25 -38.91 84.95 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.9 70.85 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.211 -0.93 . . . . 0.0 110.475 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -59.66 -40.04 86.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.799 -1.188 . . . . 0.0 108.086 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' B' ' 81' ' ' THR . 0.8 OUTLIER -66.39 -40.29 86.27 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -46.93 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.63 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -69.42 -40.0 77.54 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.008 -1.477 . . . . 0.0 110.05 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.55 -34.69 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.935 -1.103 . . . . 0.0 108.342 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' B' ' 77' ' ' VAL . 52.1 m -69.36 -39.91 77.81 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.7 m -66.87 -40.09 87.72 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.467 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' Y' ' 5' ' ' ILE . . . -60.19 -44.92 94.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.152 -0.968 . . . . 0.0 109.074 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.04 -47.2 85.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 108.985 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.24 -40.06 88.92 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 86.4 tt0 -60.21 -39.84 88.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -62.28 107.47 0.91 Allowed 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.5 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' B' ' 86' ' ' GLU . 87.8 m-85 -89.3 119.92 30.2 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -74.95 107.4 6.99 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.347 -0.846 . . . . 0.0 109.171 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.78 -40.53 92.9 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.423 0.63 . . . . 0.0 109.932 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.014 -0.994 . . . . 0.0 109.969 -179.144 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' X' ' 2' ' ' ARG . 47.6 mtt-85 -81.29 -11.02 59.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.034 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -78.24 158.76 28.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -87.55 173.5 9.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.444 -0.785 . . . . 0.0 109.637 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.3 pp -60.08 -165.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 122.957 1.361 . . . . 0.0 110.246 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' X' ' 9' ' ' LYS . 6.3 m-20 -62.36 6.53 0.08 Allowed 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.645 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.555 ' H ' ' C ' ' X' ' 5' ' ' ILE . 15.3 t-105 -41.01 -28.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.615 -0.678 . . . . 0.0 109.6 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' X' ' 6' ' ' ASP . 12.0 p30 -73.75 -39.06 64.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.47 -0.769 . . . . 0.0 108.962 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' X' ' 6' ' ' ASP . 62.7 tttp -59.92 -49.97 75.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 0.0 110.213 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.47 -24.8 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' X' ' 7' ' ' TRP . 1.7 tp -59.01 -40.17 84.14 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.149 -0.97 . . . . 0.0 109.808 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.729 -179.748 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 48.5 mtt-85 -81.55 -10.97 59.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 108.986 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 37.4 p -78.25 158.66 28.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.0 109.672 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.42 173.37 9.17 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.537 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.582 ' CD1' ' HB1' ' B' ' 83' ' ' ALA . 1.2 pp -60.19 -165.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-O 122.814 1.292 . . . . 0.0 110.331 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' Y' ' 9' ' ' LYS . 6.4 m-20 -62.2 6.48 0.08 Allowed 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.738 178.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.553 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 16.3 t-105 -40.76 -29.24 0.09 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.702 -0.624 . . . . 0.0 109.611 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 12.3 p30 -73.58 -39.09 64.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.475 -0.766 . . . . 0.0 109.068 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 63.5 tttp -59.92 -49.84 76.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.75 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -70.25 -24.81 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' Y' ' 7' ' ' TRP . 1.6 tp -59.32 -39.86 84.45 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.247 -0.908 . . . . 0.0 109.777 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.63 -179.695 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.329 0.585 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 4' ' ' GLU . 98.1 mt-10 -60.97 -36.38 79.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 109.818 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.32 -23.79 0.64 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 108.735 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.3 tt0 -67.91 -59.24 3.44 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.827 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -33.42 71.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.119 -0.988 . . . . 0.0 109.607 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.99 92.01 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.085 -1.009 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.7 ttm -60.6 -40.28 91.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.007 -1.058 . . . . 0.0 109.183 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.02 -40.49 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.76 87.08 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.404 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.89 -41.27 95.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.043 -1.036 . . . . 0.0 109.661 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -40.38 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.993 -1.067 . . . . 0.0 108.907 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.94 75.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.62 -35.83 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.22 -49.41 76.11 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.976 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' B' ' 85' ' ' HIS . 37.8 m170 -80.8 -22.59 39.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.08 -1.013 . . . . 0.0 111.156 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -59.62 -42.49 92.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.117 -0.989 . . . . 0.0 112.009 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CD2' HD23 ' A' ' 35' ' ' LEU . 32.8 p90 -110.26 -30.98 7.48 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.86 -1.15 . . . . 0.0 111.038 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' HD21 ' A' ' 27' ' ' LEU . 56.7 p -62.09 -41.56 98.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.972 -1.08 . . . . 0.0 111.05 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.35 13.55 64.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 31.2 ttt-85 -68.81 -42.74 76.87 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.671 -1.488 . . . . 0.0 109.824 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -162.48 156.29 20.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.702 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.24 -151.83 35.39 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.75 116.05 21.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -1.065 . . . . 0.0 110.114 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -67.41 -26.39 66.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.543 -0.723 . . . . 0.0 109.971 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.55 -35.67 73.24 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.233 -0.917 . . . . 0.0 111.661 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -129.53 155.65 45.43 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.08 -1.013 . . . . 0.0 109.697 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 18' ' ' SER . 78.2 mt -104.95 128.89 53.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.549 -0.72 . . . . 0.0 110.506 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.9 ttpt -100.47 148.87 24.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.5 ptmt -40.65 -40.59 1.32 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.692 -0.63 . . . . 0.0 111.121 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 69.8 m -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.665 -1.272 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.947 -1.096 . . . . 0.0 108.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.44 -37.95 89.27 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.388 -0.82 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.77 -40.02 72.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.753 -1.217 . . . . 0.0 107.738 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' ASN . 85.2 tt0 -66.53 -40.25 89.01 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.269 -0.972 . . . . 0.0 108.487 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.05 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.432 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.43 HG22 HD11 ' A' ' 47' ' ' ILE . 57.0 mt -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.932 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 35.2 t30 -80.55 -23.11 40.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.754 -1.216 . . . . 0.0 111.675 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t30 -89.03 -27.31 20.93 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.836 -1.165 . . . . 0.0 111.329 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 19.4 mp0 -101.77 -24.93 13.99 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.87 -1.144 . . . . 0.0 108.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 45' ' ' GLU . 16.3 mt -123.64 46.65 2.18 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -43.63 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -122.66 14.63 10.17 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.477 -0.764 . . . . 0.0 109.949 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.6 m-85 -68.67 -39.95 80.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.001 -1.062 . . . . 0.0 110.055 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -156.48 -35.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.783 -1.198 . . . . 0.0 109.947 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' HD12 ' A' ' 44' ' ' LEU . 90.9 mt-10 -119.51 117.5 28.58 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.299 -0.876 . . . . 0.0 110.153 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -107.75 121.82 45.49 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 HG22 ' A' ' 36' ' ' ILE . 1.3 mm -103.78 122.61 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 122.298 1.047 . . . . 0.0 109.95 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.578 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.63 -13.28 1.73 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -124.51 157.86 34.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.492 -0.755 . . . . 0.0 110.392 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.54 -20.93 49.57 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.08 -41.11 91.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 110.102 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.7 t -64.39 -46.3 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.13 -44.73 98.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.136 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.12 -42.67 96.77 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.807 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -37.51 75.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.154 -0.966 . . . . 0.0 108.998 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' VAL . 46.1 t -68.06 -35.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.706 -0.621 . . . . 0.0 109.467 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.7 mmm -70.22 -39.96 74.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.053 -1.029 . . . . 0.0 109.898 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.87 -27.55 66.78 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.401 -1.437 . . . . 0.0 107.27 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -72.57 -35.32 67.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.988 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.7 mt -103.57 -58.7 1.83 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.8 t0 -69.51 56.84 0.12 Allowed 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 95.7 mt-10 -66.54 6.18 0.49 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.608 0.718 . . . . 0.0 109.47 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.7 m-20 -93.62 -29.05 15.66 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.2 85.17 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 36.3 p-10 -79.46 1.65 24.81 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.42 31.33 71.2 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 107.908 -2.077 . . . . 0.0 107.908 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.7 mt-10 -143.39 155.65 44.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.548 -0.972 . . . . 0.0 110.057 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 2.8 t -132.7 126.73 33.22 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -84.99 170.05 13.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.016 -1.052 . . . . 0.0 109.565 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 14.1 p90 -54.77 -43.21 72.58 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.566 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -63.38 -40.74 98.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.62 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.33 -39.94 77.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 110.684 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -67.85 -37.57 82.02 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.58 -34.63 74.47 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 109.099 -179.027 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -29.74 68.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.146 -0.971 . . . . 0.0 110.117 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.76 -40.81 89.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.01 -1.056 . . . . 0.0 108.678 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.96 -43.07 91.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.443 -0.786 . . . . 0.0 108.947 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -60.15 -44.1 95.23 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.604 -0.685 . . . . 0.0 109.826 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.3 -45.3 95.04 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.097 -1.041 . . . . 0.0 109.449 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.4 -38.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.6 m -61.23 -40.15 92.94 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.9 m -67.57 -41.02 84.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.27 73.27 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.274 -0.891 . . . . 0.0 109.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -61.06 -40.24 92.92 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.156 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.28 -38.02 82.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.127 -0.983 . . . . 0.0 109.615 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.57 -31.01 65.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 108.7 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 4' ' ' GLU . 98.7 mt-10 -60.75 -35.37 76.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.9 -22.16 0.79 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.909 -1.119 . . . . 0.0 108.872 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.0 tt0 -68.83 -59.29 3.19 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.619 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -33.78 72.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 109.571 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.75 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.869 -1.145 . . . . 0.0 109.71 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 59.4 ttm -60.45 -40.43 91.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.05 -40.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.75 91.27 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.368 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.86 -41.14 97.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.912 -1.117 . . . . 0.0 109.602 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -40.52 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.897 -1.127 . . . . 0.0 108.88 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.02 -39.78 75.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.45 -36.61 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -56.64 -49.43 75.04 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 109.86 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 85' ' ' HIS . 38.3 m170 -80.93 -22.23 39.84 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.898 -1.126 . . . . 0.0 111.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.08 -42.32 94.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 0.0 111.814 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.578 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -110.18 -31.01 7.49 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.927 -1.108 . . . . 0.0 111.116 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.463 ' CB ' HD21 ' B' ' 27' ' ' LEU . 60.7 p -61.73 -41.71 97.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.056 -1.028 . . . . 0.0 110.95 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.27 13.28 65.51 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 20' ' ' ARG . 27.9 ttt-85 -69.16 -42.83 75.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.893 -1.357 . . . . 0.0 109.845 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -161.94 156.67 22.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.333 -0.854 . . . . 0.0 109.664 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.04 -151.36 35.12 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -82.3 115.56 21.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -1.085 . . . . 0.0 110.146 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -67.11 -26.29 66.63 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.432 -0.792 . . . . 0.0 110.116 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.58 -35.84 73.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 111.471 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -129.48 155.83 45.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.131 -0.981 . . . . 0.0 109.549 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' B' ' 18' ' ' SER . 76.0 mt -105.15 128.28 53.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.635 -0.666 . . . . 0.0 110.698 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' B' ' 30' ' ' SER . 30.3 ttpt -99.37 149.04 23.56 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -40.79 -40.71 1.4 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.4 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 57.0 m -61.71 -43.52 98.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.518 -1.364 . . . . 0.0 110.524 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.13 -39.81 75.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.849 -1.157 . . . . 0.0 108.943 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -38.25 90.44 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.517 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.78 -39.88 71.85 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 38' ' ' ASN . 84.7 tt0 -66.74 -40.31 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.446 -0.901 . . . . 0.0 108.614 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.728 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -59.87 -49.98 75.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.351 -0.843 . . . . 0.0 109.254 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.412 HG22 HD11 ' B' ' 47' ' ' ILE . 57.0 mt -65.72 -43.45 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -80.44 -23.48 40.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.855 -1.153 . . . . 0.0 111.619 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -88.64 -27.61 21.18 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.778 -1.201 . . . . 0.0 111.468 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 20.8 mp0 -101.99 -24.37 14.0 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.854 -1.154 . . . . 0.0 108.977 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' B' ' 45' ' ' GLU . 18.0 mt -124.41 46.64 2.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -44.05 -80.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.294 -0.879 . . . . 0.0 110.675 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -122.84 15.14 10.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.396 -0.815 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.449 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 88.2 m-85 -69.38 -40.17 77.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.784 -1.198 . . . . 0.0 109.939 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 45' ' ' GLU . 0.3 OUTLIER -155.81 -35.54 0.09 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.84 -1.163 . . . . 0.0 110.099 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 40' ' ' LEU . 91.5 mt-10 -119.51 117.28 27.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.497 -0.752 . . . . 0.0 110.354 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -107.21 122.1 45.85 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 36' ' ' ILE . 1.4 mm -104.73 122.45 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 122.294 1.045 . . . . 0.0 109.864 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.85 -12.55 1.71 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.81 157.77 35.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.519 -0.738 . . . . 0.0 110.354 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.8 -20.73 49.09 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -60.04 -41.47 92.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.572 -0.705 . . . . 0.0 110.048 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.451 ' O ' HG23 ' B' ' 56' ' ' VAL . 5.5 t -63.88 -46.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.15 -44.85 99.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.132 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.01 -42.51 97.12 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.9 -1.12 . . . . 0.0 109.88 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.07 -37.52 75.49 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.203 -0.936 . . . . 0.0 108.901 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.1 t -68.13 -35.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 109.506 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -70.38 -39.94 74.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.059 -1.026 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.78 -27.79 66.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.418 -1.426 . . . . 0.0 107.201 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -72.4 -35.42 68.41 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.08 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 62' ' ' GLU . 11.2 mt -103.22 -58.69 1.83 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -69.42 56.8 0.12 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 60' ' ' LEU . 97.6 mt-10 -66.68 6.75 0.43 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.389 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.7 m-20 -93.94 -29.25 15.36 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.34 9.88 85.35 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.545 -1.822 . . . . 0.0 108.545 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.3 p-10 -79.79 2.25 23.71 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.548 -0.972 . . . . 0.0 108.493 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.93 30.97 72.25 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.8 mt-10 -142.89 155.5 44.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.56 -0.965 . . . . 0.0 110.067 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 2.0 t -132.49 126.97 34.2 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.45 169.92 13.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.504 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 14.0 p90 -54.53 -43.27 71.79 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.561 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.9 tt0 -63.23 -40.55 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.799 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.65 -39.83 76.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.975 -1.078 . . . . 0.0 110.502 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -67.79 -37.78 82.49 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.889 0.852 . . . . 0.0 109.162 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.9 -33.95 73.91 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.319 -0.863 . . . . 0.0 109.11 -178.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.52 -29.52 68.12 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.229 -0.919 . . . . 0.0 110.154 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.83 -40.67 89.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.959 -1.088 . . . . 0.0 108.682 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.428 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -59.88 -43.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.41 -0.806 . . . . 0.0 108.827 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -60.26 -44.21 95.49 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.641 -0.662 . . . . 0.0 109.939 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.55 -45.14 95.43 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.153 -1.019 . . . . 0.0 109.429 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.46 -37.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -61.57 -39.95 92.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.213 -0.929 . . . . 0.0 108.702 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 m -68.08 -40.64 82.62 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.178 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.72 73.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.281 -0.887 . . . . 0.0 109.743 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.31 -40.5 94.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.343 -0.848 . . . . 0.0 109.052 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 15' ' ' HIS . 54.6 t-80 -60.11 -38.66 83.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -56.86 -31.55 64.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.133 -0.98 . . . . 0.0 109.135 179.694 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.451 ' C ' ' ND2' ' X' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.813 0.34 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.29 -39.95 88.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.894 -1.128 . . . . 0.0 108.767 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.96 -40.52 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.785 . . . . 0.0 110.834 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.494 1.751 0 O-C-N 120.875 -1.141 . . . . 0.0 109.448 -179.563 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.798 0.332 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.956 -1.09 . . . . 0.0 108.897 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.29 -40.69 78.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.533 -0.729 . . . . 0.0 110.779 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.09 -39.27 85.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.899 -1.126 . . . . 0.0 109.374 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 43.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.468 -179.747 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.78 -39.89 91.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.14 -0.975 . . . . 0.0 108.838 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.84 -22.55 25.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.144 -0.973 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.417 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 49.0 tp10 -59.76 -52.69 64.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -74.29 -40.76 62.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.759 -1.213 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.35 97.35 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.078 -1.013 . . . . 0.0 110.288 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.1 ttm -60.3 -41.12 92.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.614 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.28 -40.15 82.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-O 122.012 0.911 . . . . 0.0 109.142 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.38 98.96 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.441 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.5 -40.05 95.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.38 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.894 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.69 -39.9 76.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.727 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG13 ' OE2' ' A' ' 39' ' ' GLU . 18.5 t -58.66 -36.02 58.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.99 -49.86 76.01 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.975 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -81.21 -24.13 37.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.054 -1.029 . . . . 0.0 111.533 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.96 -43.83 94.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.234 -0.916 . . . . 0.0 112.449 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 39.7 p90 -109.95 -30.07 7.97 Favored 'General case' 0 N--CA 1.514 2.734 0 O-C-N 120.802 -1.186 . . . . 0.0 110.879 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -59.75 -39.94 86.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.984 -1.072 . . . . 0.0 110.23 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.18 10.18 59.01 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 65.1 ttt180 -65.71 -42.09 91.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.754 -1.439 . . . . 0.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 20.4 pt-20 -161.6 165.17 28.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 109.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.9 -152.68 51.57 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.846 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.36 133.13 37.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.556 -0.967 . . . . 0.0 110.433 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.37 -39.92 77.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.83 -18.9 60.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.745 -0.597 . . . . 0.0 112.206 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -129.7 157.65 41.54 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.862 -1.149 . . . . 0.0 110.588 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.9 mt -117.51 138.96 51.54 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.929 -0.482 . . . . 0.0 109.811 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' GLU . 82.0 tttt -109.42 148.35 31.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ptmt -39.44 -38.53 0.57 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.495 -0.753 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.6 p -61.59 -42.68 99.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.091 -1.006 . . . . 0.0 109.643 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 81.5 mt-10 -69.57 -39.31 77.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.022 -1.049 . . . . 0.0 108.459 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.86 -40.01 93.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.84 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -54.36 -40.11 67.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ASN . 53.7 tp10 -69.84 -40.01 76.1 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 19.7 tp -59.76 -51.8 68.19 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.407 -0.808 . . . . 0.0 110.247 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.26 -40.32 86.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.371 -0.831 . . . . 0.0 109.371 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.416 ' O ' ' OG ' ' A' ' 41' ' ' SER . 20.7 t30 -79.1 -22.74 44.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.876 -1.14 . . . . 0.0 110.189 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.538 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.33 -27.31 24.38 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 110.44 -179.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.568 ' OE2' HG13 ' A' ' 13' ' ' VAL . 98.9 mt-10 -108.9 -33.93 6.79 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.088 -1.007 . . . . 0.0 109.13 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD13 HD12 ' A' ' 44' ' ' LEU . 16.4 mt -114.66 51.4 0.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 7.2 m -59.65 -62.15 2.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.115 -0.991 . . . . 0.0 109.831 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -129.63 -5.64 4.66 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 54.0 t80 -60.45 -40.79 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 0.0 109.168 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 40' ' ' LEU . 78.9 mt -127.91 -98.83 0.37 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.469 -0.769 . . . . 0.0 109.343 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -93.6 141.54 28.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.39 -0.819 . . . . 0.0 109.412 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 87.9 tt0 -100.26 118.29 36.25 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 mm -90.92 109.64 21.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-O 122.169 0.985 . . . . 0.0 109.762 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -13.63 8.1 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 43.5 mt-10 -122.15 144.51 48.9 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.564 0.697 . . . . 0.0 110.379 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.69 -20.37 63.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.06 -42.7 95.1 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.993 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' VAL . 9.5 t -61.2 -49.97 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.46 -43.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.994 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -62.92 -46.78 86.2 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 118.73 -1.188 . . . . 0.0 108.607 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -70.09 -37.91 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.59 0.709 . . . . 0.0 109.515 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' VAL . 40.8 t -77.08 -30.4 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.9 tpt -70.25 -40.37 74.44 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.64 -28.23 68.41 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 m -67.61 -27.29 66.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.747 -0.596 . . . . 0.0 109.443 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.97 -45.29 4.2 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 52.2 t0 -82.73 59.41 4.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.35 0.64 1.37 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -87.77 -33.33 18.7 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.15 12.97 82.66 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.6 p-10 -82.88 7.33 15.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.93 38.35 92.79 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 76.2 tt0 -146.79 152.47 38.83 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.3 -1.118 . . . . 0.0 111.001 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 t -132.03 110.95 11.09 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.93 166.18 22.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.854 -1.154 . . . . 0.0 110.051 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 26.3 p90 -52.65 -41.35 63.71 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.48 -0.763 . . . . 0.0 109.158 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 66.3 tt0 -63.25 -41.21 99.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -70.34 -40.15 74.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.174 -0.954 . . . . 0.0 110.287 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -65.44 -38.79 90.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 108.699 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.91 -32.55 70.86 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.413 -0.804 . . . . 0.0 109.03 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.72 67.46 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.978 -1.076 . . . . 0.0 109.787 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.7 -42.61 84.05 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -44.41 95.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p -60.54 -44.79 95.71 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.4 ttp -61.27 -47.07 87.72 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.325 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 t -78.81 -28.63 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.845 -1.159 . . . . 0.0 109.472 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.0 m -64.85 -40.16 94.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.965 -1.084 . . . . 0.0 108.973 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 p -66.54 -39.42 88.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.677 -0.64 . . . . 0.0 110.079 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.51 90.14 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.692 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.64 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.043 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.18 -39.49 94.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.298 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.518 -0.739 . . . . 0.0 109.578 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--N 1.297 -1.704 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.574 179.514 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.18 -39.91 90.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.967 -1.083 . . . . 0.0 108.898 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.7 -22.3 22.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 48.7 tp10 -59.96 -52.92 63.33 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.832 -1.168 . . . . 0.0 110.221 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -74.09 -39.99 63.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.769 -1.207 . . . . 0.0 110.594 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.16 95.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.091 -1.005 . . . . 0.0 110.161 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.18 -40.95 91.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.595 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 4' ' ' GLU . 81.1 t -60.45 -40.04 82.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.009 0.909 . . . . 0.0 109.042 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.77 98.32 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.473 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.77 -40.39 95.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.0 110.401 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -40.19 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.071 -1.018 . . . . 0.0 108.808 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -70.08 -40.01 75.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.94 -1.1 . . . . 0.0 109.672 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.547 HG13 ' OE2' ' B' ' 39' ' ' GLU . 14.1 t -58.61 -36.2 58.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.65 -50.02 75.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 110.119 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -80.98 -23.87 38.43 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.985 -1.072 . . . . 0.0 111.3 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.94 -43.53 94.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 112.543 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.792 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 39.4 p90 -110.55 -29.94 7.84 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 120.921 -1.112 . . . . 0.0 110.846 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -59.86 -40.12 87.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.984 -1.072 . . . . 0.0 110.185 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.65 10.22 60.15 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.844 -1.169 . . . . 0.0 110.188 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.57 -41.67 92.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.856 -1.379 . . . . 0.0 109.627 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.474 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.8 pt-20 -161.57 164.44 29.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.263 -0.898 . . . . 0.0 109.476 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.83 -152.19 50.07 Favored Glycine 0 N--CA 1.492 2.375 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.957 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.79 132.58 36.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.907 . . . . 0.0 110.36 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.88 -39.92 79.52 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.996 0.903 . . . . 0.0 108.82 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -73.93 -19.4 60.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.878 -0.514 . . . . 0.0 112.102 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -129.34 157.73 41.1 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.925 -1.109 . . . . 0.0 110.621 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.93 139.24 50.88 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.713 -0.617 . . . . 0.0 109.72 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 29' ' ' LYS . 81.7 tttt -109.55 148.39 31.32 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.4 ptmt -39.81 -38.41 0.66 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.3 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.468 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 84.1 mt-10 -69.63 -39.22 77.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.074 -1.016 . . . . 0.0 108.553 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.0 -39.7 93.15 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.384 -0.822 . . . . 0.0 109.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -54.59 -40.05 68.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.032 . . . . 0.0 108.28 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 38' ' ' ASN . 53.6 tp10 -70.15 -39.74 75.16 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.792 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.2 tp -59.75 -51.75 68.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.306 -0.871 . . . . 0.0 110.078 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.08 -41.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.511 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' OG ' ' B' ' 41' ' ' SER . 18.5 t30 -78.62 -22.11 47.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.982 -1.074 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.38 -27.57 24.14 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.883 -1.136 . . . . 0.0 110.335 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.547 ' OE2' HG13 ' B' ' 13' ' ' VAL . 98.2 mt-10 -108.7 -34.21 6.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.936 -1.103 . . . . 0.0 109.458 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.447 HD13 HD12 ' B' ' 44' ' ' LEU . 16.6 mt -114.69 52.08 0.86 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 10.6 m -60.31 -62.3 1.97 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.079 -1.013 . . . . 0.0 109.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -129.55 -5.65 4.71 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.417 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 52.0 t80 -60.15 -41.17 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.447 HD12 HD13 ' B' ' 40' ' ' LEU . 78.4 mt -128.0 -98.19 0.38 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.438 -0.789 . . . . 0.0 109.224 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -93.8 141.31 28.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.443 -0.786 . . . . 0.0 109.36 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 88.5 tt0 -100.58 117.87 35.58 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -90.41 109.33 20.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-O 122.151 0.977 . . . . 0.0 109.778 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 -13.23 8.28 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.22 144.21 49.11 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.667 0.746 . . . . 0.0 110.369 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.39 -20.51 63.81 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.43 -42.34 95.84 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.79 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' B' ' 56' ' ' VAL . 10.5 t -61.45 -50.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.9 t -60.22 -43.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.121 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -62.26 -47.37 84.64 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.517 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -70.05 -37.37 75.51 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.411 0.624 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' B' ' 52' ' ' VAL . 38.9 t -77.58 -30.52 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.49 ' N ' ' O ' ' B' ' 53' ' ' VAL . 2.8 tpt -69.93 -40.78 75.31 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.55 -27.89 68.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -27.31 66.54 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.519 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.98 -45.21 4.22 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 51.2 t0 -82.59 59.04 4.48 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.02 0.73 1.13 Allowed 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 61' ' ' ASP . 86.8 m-20 -88.27 -33.05 18.2 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.1 12.43 83.3 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 47.2 p-10 -81.98 6.9 14.61 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.53 37.83 90.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 76.6 tt0 -146.7 152.32 38.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -1.156 . . . . 0.0 111.239 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -131.33 111.72 12.12 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.61 165.2 23.16 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.94 -1.1 . . . . 0.0 109.992 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.1 p90 -51.62 -42.02 61.7 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 109.123 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 66.6 tt0 -62.9 -41.31 99.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.256 -0.903 . . . . 0.0 108.984 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.26 -40.04 74.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.965 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -65.49 -38.47 89.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.939 -1.101 . . . . 0.0 108.748 179.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.2 tpt -60.05 -32.68 71.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.447 -0.783 . . . . 0.0 108.983 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.53 -29.71 67.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.982 -1.074 . . . . 0.0 109.864 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.8 -42.21 83.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -44.92 96.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -60.29 -44.75 95.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 ttp -60.93 -46.98 88.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.555 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 t -78.83 -28.87 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.923 -1.111 . . . . 0.0 109.574 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.4 m -64.79 -39.95 94.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.068 -1.02 . . . . 0.0 108.978 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.4 p -66.92 -39.17 87.29 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.567 -0.708 . . . . 0.0 110.008 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.72 90.41 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.428 -0.795 . . . . 0.0 109.571 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.66 -44.49 96.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.028 -1.045 . . . . 0.0 109.083 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.61 -39.82 92.61 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.611 0.719 . . . . 0.0 109.279 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.93 -39.69 86.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.646 -0.659 . . . . 0.0 109.892 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.297 -1.717 0 C-N-CA 118.914 -1.114 . . . . 0.0 108.585 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.32 -37.34 83.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.469 -0.769 . . . . 0.0 109.104 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -45.99 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.955 . . . . 0.0 110.103 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.302 -1.491 0 O-C-N 120.772 -1.205 . . . . 0.0 108.669 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.8 -37.67 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.55 -46.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -39.7 87.43 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.839 -1.163 . . . . 0.0 108.665 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.338 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.16 -39.92 86.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.6 -25.02 1.53 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.891 -1.13 . . . . 0.0 108.658 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.28 -49.72 76.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 109.638 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 19.4 pttt -69.98 -29.99 67.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 109.591 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -77.87 -39.97 41.6 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.445 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtp -60.0 -43.08 95.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.601 -1.312 . . . . 0.0 110.073 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 m -60.76 -39.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.945 -1.097 . . . . 0.0 108.447 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.34 93.4 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.588 -0.695 . . . . 0.0 109.795 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.94 -45.21 93.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.66 -40.0 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.269 -0.894 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.88 -40.01 72.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.02 -1.05 . . . . 0.0 110.16 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.04 -35.16 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.65 -50.03 74.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.182 -0.949 . . . . 0.0 110.297 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.11 -23.15 48.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.131 -0.981 . . . . 0.0 110.836 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.173 -0.955 . . . . 0.0 111.714 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 44.0 p90 -108.12 -31.4 7.94 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.839 -1.163 . . . . 0.0 110.964 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -61.82 -40.01 93.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.107 -0.995 . . . . 0.0 111.572 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.84 6.45 62.14 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.957 -1.089 . . . . 0.0 111.697 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -69.92 -40.09 75.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.391 -1.652 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 15.2 pt-20 -156.44 160.0 39.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.925 -1.109 . . . . 0.0 109.789 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.12 -167.48 39.28 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.46 136.43 34.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -1.17 . . . . 0.0 109.346 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -74.32 -10.75 59.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.278 -0.889 . . . . 0.0 109.449 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.99 -30.31 62.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.326 -0.859 . . . . 0.0 109.208 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -129.5 158.94 37.83 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.594 -0.691 . . . . 0.0 109.794 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD23 ' OE1' ' A' ' 31' ' ' GLU . 75.2 mt -120.41 127.92 52.72 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.783 -0.573 . . . . 0.0 109.841 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 29' ' ' LYS . 57.7 tttp -99.32 160.1 14.52 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' LYS . 81.5 mttt -39.96 -44.43 1.7 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.675 -0.64 . . . . 0.0 110.573 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -60.09 -42.46 94.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.029 . . . . 0.0 110.811 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' OE1' HD23 ' A' ' 27' ' ' LEU . 80.5 mt-10 -69.98 -39.99 75.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.703 -1.248 . . . . 0.0 109.271 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.32 -38.84 91.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.024 -1.048 . . . . 0.0 108.562 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -57.3 -39.98 76.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 51.6 tp10 -68.61 -40.06 80.58 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 18.0 tp -59.99 -50.49 73.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 109.993 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.527 -0.733 . . . . 0.0 109.893 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.94 -24.27 44.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.918 -1.114 . . . . 0.0 110.72 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -86.51 -45.94 10.63 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.99 -42.76 18.92 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.894 -1.128 . . . . 0.0 108.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -108.92 67.26 0.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -74.25 -68.13 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.046 . . . . 0.0 109.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.77 -19.52 6.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.585 -0.697 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.07 -40.02 88.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 108.707 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.02 -153.66 0.58 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -49.19 133.31 19.2 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.17 -0.956 . . . . 0.0 109.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -102.54 141.44 35.35 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 52' ' ' VAL . 42.4 mm -114.12 114.62 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.527 0.68 . . . . 0.0 110.246 -177.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -122.61 -11.59 8.23 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -122.91 152.03 41.2 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.0 pt20 -74.38 -21.48 59.64 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -43.81 94.93 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.8 t -60.41 -49.5 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 t -60.95 -41.49 89.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.502 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.2 t0 -68.8 -42.25 77.56 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.204 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.62 -39.19 77.33 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 52' ' ' VAL . 48.6 t -70.03 -35.89 66.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 42.3 mmm -70.99 -39.98 72.13 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.25 -30.5 69.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 50.6 m -67.19 -39.95 86.45 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.974 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -105.87 -53.38 2.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.226 -0.921 . . . . 0.0 108.902 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -81.18 56.45 2.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.79 2.09 2.82 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.6 m-20 -74.61 -35.69 62.96 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 11.28 84.48 Favored Glycine 0 N--CA 1.482 1.744 0 N-CA-C 106.587 -2.605 . . . . 0.0 106.587 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -75.56 0.95 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.17 30.89 77.7 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 107.902 -2.079 . . . . 0.0 107.902 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.74 149.64 35.91 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.477 -1.013 . . . . 0.0 111.462 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.78 119.04 21.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 36.8 t0 -80.46 170.0 16.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.481 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 19.2 p90 -57.93 -39.39 77.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.134 -0.978 . . . . 0.0 108.413 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.1 tp-100 -60.04 -40.01 87.88 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.123 -0.985 . . . . 0.0 108.441 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.25 -39.39 92.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.005 -1.059 . . . . 0.0 108.99 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 109.078 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' B' ' 81' ' ' THR . 7.0 mmt -59.66 -38.81 82.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.28 -0.888 . . . . 0.0 109.446 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.1 68.44 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.933 -1.104 . . . . 0.0 110.435 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.0 t80 -59.94 -43.46 94.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.787 -1.196 . . . . 0.0 108.727 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -59.97 -42.02 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.39 -40.12 89.74 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.304 0.574 . . . . 0.0 109.553 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.469 ' HB3' HG23 ' X' ' 10' ' ' ILE . 30.4 mtm -64.52 -45.61 86.45 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.55 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 76' ' ' PHE . 1.1 t -80.16 -30.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.6 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' B' ' 74' ' ' MET . 94.9 m -69.7 -38.42 76.95 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.474 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -75.26 -41.33 57.61 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.925 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.1 96.95 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.077 -1.014 . . . . 0.0 109.923 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 26.7 m -67.45 -40.48 85.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.162 -0.962 . . . . 0.0 109.242 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -62.57 -40.05 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.406 -0.809 . . . . 0.0 110.658 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -66.0 -25.6 67.15 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.382 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 O-C-N 120.737 -1.227 . . . . 0.0 110.086 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.66 -39.64 84.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 110.605 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.88 -24.86 1.61 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 108.582 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.12 -49.99 75.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.468 -0.77 . . . . 0.0 109.674 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 19.5 pttt -69.99 -30.02 67.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -77.81 -39.97 42.0 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 110.423 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtp -59.99 -43.16 95.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.65 -1.281 . . . . 0.0 109.999 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 m -60.73 -39.99 83.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.011 -1.056 . . . . 0.0 108.458 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.8 -43.26 93.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.671 -0.643 . . . . 0.0 109.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.07 -45.11 93.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.067 -1.021 . . . . 0.0 108.952 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -40.04 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.391 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.96 -39.99 72.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.033 -1.042 . . . . 0.0 110.106 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 9' ' ' ALA . 49.2 t -59.99 -35.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.59 -49.95 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.198 -0.938 . . . . 0.0 110.382 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.17 -23.16 47.77 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.158 -0.964 . . . . 0.0 110.805 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 111.754 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 44.2 p90 -108.17 -31.45 7.9 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 120.884 -1.135 . . . . 0.0 110.911 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.9 t -61.81 -39.98 93.68 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.112 -0.993 . . . . 0.0 111.637 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 6.58 61.9 Favored Glycine 0 N--CA 1.495 2.621 0 C-N-CA 120.059 -1.067 . . . . 0.0 111.686 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -70.02 -40.03 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.535 -1.568 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 15.3 pt-20 -156.53 160.02 39.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.777 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.02 -167.49 38.89 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.4 136.4 34.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -1.164 . . . . 0.0 109.323 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -74.33 -10.8 59.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.43 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.8 -30.41 62.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.343 -0.848 . . . . 0.0 109.215 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -129.57 158.83 38.19 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.591 -0.693 . . . . 0.0 109.825 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.502 HD23 ' OE1' ' B' ' 31' ' ' GLU . 73.0 mt -120.35 127.96 52.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.815 -0.553 . . . . 0.0 109.832 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 29' ' ' LYS . 57.2 tttp -99.3 159.98 14.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 82.2 mttt -39.79 -44.51 1.61 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.644 -0.66 . . . . 0.0 110.554 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 66.4 m -60.04 -42.58 94.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.815 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.502 ' OE1' HD23 ' B' ' 27' ' ' LEU . 80.4 mt-10 -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.742 -1.224 . . . . 0.0 109.24 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.28 -38.87 91.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.014 -1.054 . . . . 0.0 108.6 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -57.19 -39.91 76.33 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 38' ' ' ASN . 51.6 tp10 -68.79 -40.05 79.85 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.685 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.4 tp -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.267 -0.895 . . . . 0.0 110.047 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.95 -40.04 78.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.501 -0.749 . . . . 0.0 109.838 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.97 -24.3 43.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.993 -1.067 . . . . 0.0 110.695 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -86.44 -45.91 10.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.906 -1.121 . . . . 0.0 110.236 -178.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -82.07 -42.42 19.23 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.848 -1.158 . . . . 0.0 108.985 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.3 67.39 0.65 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -74.25 -68.33 0.54 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.054 -1.029 . . . . 0.0 109.676 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.7 -19.55 6.78 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 109.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 108.715 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.97 -153.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -49.22 133.51 19.11 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.152 -0.968 . . . . 0.0 109.975 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.68 141.47 35.44 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.431 ' CD1' HG11 ' B' ' 52' ' ' VAL . 42.6 mm -114.19 114.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 CA-C-O 121.59 0.71 . . . . 0.0 110.264 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.59 -11.68 8.23 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -122.78 152.16 40.92 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.514 0.673 . . . . 0.0 110.839 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' B' ' 54' ' ' ASP . 13.9 pt20 -74.68 -21.45 59.39 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.7 pt-20 -60.05 -43.76 95.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.635 -0.665 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 47' ' ' ILE . 26.1 t -60.36 -49.5 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.2 t0 -68.75 -42.17 77.9 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.229 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -69.71 -39.15 77.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.0 t -70.04 -35.86 65.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 42.3 mmm -70.95 -40.02 72.24 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.31 -30.49 69.53 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.1 m -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.96 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.9 -53.35 2.66 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.264 -0.897 . . . . 0.0 108.93 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -81.25 56.41 2.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -68.82 2.12 2.82 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.6 m-20 -74.55 -35.87 63.11 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.3 11.34 84.38 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 106.599 -2.601 . . . . 0.0 106.599 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -75.68 1.06 15.57 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.01 31.04 78.25 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -144.78 149.79 36.09 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.488 -1.007 . . . . 0.0 111.378 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 118.9 21.47 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.512 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 36.7 t0 -80.27 169.96 17.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.032 -1.043 . . . . 0.0 109.514 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 19.2 p90 -58.0 -39.25 77.78 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 6.1 tp-100 -60.0 -40.01 87.77 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.151 -0.968 . . . . 0.0 108.504 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.32 -39.31 92.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.06 -1.025 . . . . 0.0 108.939 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.07 -36.89 78.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.449 -0.782 . . . . 0.0 109.08 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' A' ' 81' ' ' THR . 6.9 mmt -59.62 -38.68 81.99 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.468 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.81 -28.85 67.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.913 -1.117 . . . . 0.0 110.466 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.431 ' O ' HG23 ' B' ' 80' ' ' VAL . 47.2 t80 -60.01 -43.49 95.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.735 -1.228 . . . . 0.0 108.609 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -60.03 -42.0 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -60.16 -39.99 88.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.296 0.569 . . . . 0.0 109.635 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.411 ' HB3' HG23 ' Y' ' 10' ' ' ILE . 29.9 mtm -64.83 -45.56 85.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.461 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 76' ' ' PHE . 1.1 t -80.23 -29.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 C-N-CA 118.859 -1.137 . . . . 0.0 109.587 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' A' ' 74' ' ' MET . 98.1 m -69.7 -38.44 76.95 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.385 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 p -75.21 -41.35 57.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.016 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.88 96.81 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.0 -1.062 . . . . 0.0 109.882 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 22.8 m -67.53 -40.43 85.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.265 -0.897 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.67 -39.99 95.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.453 -0.779 . . . . 0.0 110.664 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -66.07 -25.59 67.1 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.226 -0.921 . . . . 0.0 111.381 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 O-C-N 120.799 -1.188 . . . . 0.0 110.038 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.02 -36.23 76.79 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 79' ' ' MET . 81.9 mt -59.98 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.852 . . . . 0.0 110.056 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 10.0 mp . . . . . 0 N--CA 1.489 1.483 0 O-C-N 120.845 -1.16 . . . . 0.0 108.6 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.01 -36.13 76.54 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' B' ' 79' ' ' MET . 81.0 mt -60.07 -39.91 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.023 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.77 -38.99 83.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.845 -1.159 . . . . 0.0 108.761 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.562 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.221 0.534 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.26 -40.02 78.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.121 -0.987 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.98 -21.9 61.83 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.014 -1.054 . . . . 0.0 110.333 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -59.92 -45.9 91.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.862 -1.149 . . . . 0.0 109.792 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 8.4 ptmt -70.09 -31.64 69.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.855 -1.153 . . . . 0.0 109.544 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -73.86 -39.05 64.24 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.216 -0.927 . . . . 0.0 110.442 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.4 tpp -59.98 -46.25 90.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 110.131 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.96 -40.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.592 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.32 95.3 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.733 -0.604 . . . . 0.0 109.811 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.54 -40.71 93.21 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 109.067 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.35 -43.09 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.185 -0.947 . . . . 0.0 109.023 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -71.02 -40.02 72.0 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 109.586 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.98 -32.66 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.06 -46.3 89.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -71.73 -31.59 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 111.809 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.99 -42.71 94.82 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.761 -1.212 . . . . 0.0 111.688 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.531 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 78.4 m-85 -97.48 -30.9 12.63 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.785 -1.197 . . . . 0.0 110.331 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.5 t -60.57 -40.0 90.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.84 14.81 57.68 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -60.06 -40.16 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.236 . . . . 0.0 109.308 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -167.63 97.28 0.47 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.4 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.38 -160.55 0.59 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.0 m-20 50.1 40.57 21.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.168 -1.196 . . . . 0.0 109.417 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -38.1 89.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.868 . . . . 0.0 109.821 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.71 -39.79 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.577 -0.702 . . . . 0.0 111.125 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' ASP . 57.7 mttm -128.99 162.25 28.03 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.101 -0.999 . . . . 0.0 110.568 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.7 mt -104.98 124.07 48.87 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.442 -0.786 . . . . 0.0 110.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -84.92 157.31 20.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -50.82 -39.94 54.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.004 -1.06 . . . . 0.0 109.552 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -42.43 94.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.21 -40.0 82.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.408 -0.808 . . . . 0.0 109.111 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.97 -39.12 88.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 108.882 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.14 -39.94 82.57 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.821 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 73' ' ' PHE . 21.3 tp -60.02 -50.24 74.51 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.557 -0.715 . . . . 0.0 110.483 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 HD11 ' A' ' 47' ' ' ILE . 63.8 mt -70.51 -39.99 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.027 -1.045 . . . . 0.0 110.322 -178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -80.5 -24.0 39.73 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.864 -1.147 . . . . 0.0 111.553 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -89.52 -26.16 21.02 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.827 -1.171 . . . . 0.0 111.242 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -97.21 -27.82 14.36 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.796 -1.19 . . . . 0.0 108.51 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' GLU . 33.3 mt -117.53 71.41 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -52.74 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.93 -1.106 . . . . 0.0 109.706 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.87 11.59 6.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.476 -0.765 . . . . 0.0 109.428 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.66 -8.09 53.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.274 -0.891 . . . . 0.0 109.983 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.28 -67.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 109.373 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 40' ' ' LEU . 92.0 mt-10 -120.72 138.54 53.92 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.638 -0.664 . . . . 0.0 110.911 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 47' ' ' ILE . 87.8 tt0 -118.98 122.63 42.65 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -109.76 120.2 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 122.211 1.005 . . . . 0.0 109.917 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -135.71 -9.99 2.11 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.29 147.05 48.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.62 -0.675 . . . . 0.0 110.427 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.5 pt20 -73.75 -18.82 60.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.694 -0.629 . . . . 0.0 110.342 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 37.8 t -65.57 -49.85 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -60.27 -40.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.417 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 56.6 t0 -68.18 -43.51 77.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.439 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.94 -36.72 75.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.907 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.6 t -69.68 -34.98 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.4 mmt -60.96 -40.0 91.68 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.52 -29.88 69.39 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.5 m -71.74 -40.02 69.67 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 76' ' ' PHE . 6.7 mp -101.38 -56.71 2.24 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.299 -0.876 . . . . 0.0 108.688 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.7 t0 -78.71 55.26 1.65 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.43 2.67 2.18 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' ASP . 75.6 m-20 -84.21 -31.66 24.94 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 10.06 78.71 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 51.1 p30 -84.47 2.0 42.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.22 33.2 84.45 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -141.82 152.74 43.96 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.391 -1.064 . . . . 0.0 111.12 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 119.56 24.74 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' HZ2' ' A' ' 26' ' ' LYS . 75.3 m-20 -79.01 169.82 17.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.396 -0.815 . . . . 0.0 109.379 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -58.15 -40.0 80.24 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 7.2 tt0 -60.81 -40.11 91.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 44.0 mt-10 -64.69 -39.97 94.59 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.456 -0.778 . . . . 0.0 109.369 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 35' ' ' LEU . 2.5 t80 -59.94 -39.94 87.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.4 -0.813 . . . . 0.0 109.614 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.9 mmm -60.02 -37.02 78.52 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.66 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.71 76.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.026 -1.047 . . . . 0.0 110.674 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 60' ' ' LEU . 66.2 t80 -59.96 -40.03 87.64 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 109.313 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.89 -44.27 97.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 108.873 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -60.07 -40.62 90.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.496 -0.752 . . . . 0.0 109.679 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.3 ttp -65.36 -43.56 90.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.35 -0.844 . . . . 0.0 110.195 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.1 t -80.39 -29.61 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.041 -1.037 . . . . 0.0 109.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.99 -40.05 94.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.197 -0.94 . . . . 0.0 108.857 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 p -71.52 -42.66 67.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.644 -0.66 . . . . 0.0 110.859 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.08 67.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.822 -1.173 . . . . 0.0 109.838 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 -49.64 76.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.34 -45.79 92.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.17 -40.2 89.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.0 108.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.637 -0.664 . . . . 0.0 109.787 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.75 -39.95 76.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.201 -0.937 . . . . 0.0 109.582 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.16 -21.83 62.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 0.0 110.31 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.9 -46.07 90.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.923 -1.11 . . . . 0.0 109.741 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.2 ptmt -70.0 -31.63 69.41 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.969 -1.082 . . . . 0.0 109.537 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -73.84 -39.32 64.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 110.403 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.1 tpp -60.03 -46.02 90.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.068 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -60.01 -39.94 81.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 108.604 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.33 95.14 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.689 -0.632 . . . . 0.0 109.8 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.58 -40.56 92.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.085 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.68 -42.65 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 109.031 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -71.25 -40.02 71.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.531 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.0 -32.77 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.583 -0.698 . . . . 0.0 109.391 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -71.47 -31.82 67.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 111.846 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.96 -42.55 94.35 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.765 -1.209 . . . . 0.0 111.732 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.521 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 78.5 m-85 -97.62 -30.72 12.68 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.791 -1.193 . . . . 0.0 110.286 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -60.75 -39.97 90.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.87 14.72 57.94 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -59.95 -40.14 87.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.058 -1.26 . . . . 0.0 109.263 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.61 97.5 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.448 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 -160.95 0.48 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 50.54 40.49 23.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -1.169 . . . . 0.0 109.351 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.85 -37.96 89.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.77 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.79 -39.82 72.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.633 -0.667 . . . . 0.0 111.239 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 69' ' ' ASP . 58.1 mttm -128.89 162.03 28.47 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.111 -0.993 . . . . 0.0 110.473 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.87 124.21 49.07 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.45 -0.781 . . . . 0.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -85.02 156.9 20.91 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.115 -0.991 . . . . 0.0 108.44 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.61 -40.01 51.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.937 -1.102 . . . . 0.0 109.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 43.7 t -60.05 -41.85 93.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.84 -1.163 . . . . 0.0 109.135 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.58 -39.98 80.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.374 -0.829 . . . . 0.0 109.047 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.2 -38.97 88.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.177 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -56.12 -39.92 72.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 108.98 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.05 -40.03 82.91 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.321 -0.952 . . . . 0.0 108.832 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' B' ' 73' ' ' PHE . 20.9 tp -60.0 -49.91 75.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.537 -0.727 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.526 HG22 HD11 ' B' ' 47' ' ' ILE . 61.0 mt -70.85 -40.0 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.057 -1.027 . . . . 0.0 110.339 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -80.38 -23.99 40.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.81 -1.181 . . . . 0.0 111.428 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -89.63 -25.95 21.01 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.813 -1.179 . . . . 0.0 111.304 -178.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -97.4 -27.99 14.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.774 -1.204 . . . . 0.0 108.446 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 45' ' ' GLU . 33.3 mt -117.21 71.37 0.8 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -52.84 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.142 . . . . 0.0 109.763 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -128.69 11.05 6.15 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.507 -0.745 . . . . 0.0 109.461 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.02 -8.28 54.35 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.902 . . . . 0.0 110.062 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.13 -67.88 0.2 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.046 -1.034 . . . . 0.0 109.298 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 90.2 mt-10 -120.66 138.77 53.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.657 -0.652 . . . . 0.0 110.95 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.541 ' C ' HD13 ' B' ' 47' ' ' ILE . 88.2 tt0 -119.29 122.73 42.56 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.541 HD13 ' C ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -109.95 120.07 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 122.25 1.024 . . . . 0.0 109.762 -178.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -135.5 -10.23 2.16 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.21 147.31 48.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.618 -0.676 . . . . 0.0 110.417 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -74.02 -18.79 60.8 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.708 -0.62 . . . . 0.0 110.213 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.412 ' O ' HG23 ' B' ' 56' ' ' VAL . 38.9 t -65.52 -49.98 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.28 -40.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.374 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -68.04 -43.4 78.82 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.03 -36.91 75.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.327 -0.858 . . . . 0.0 108.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 52' ' ' VAL . 45.4 t -69.45 -34.97 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.5 mmt -61.0 -39.96 91.7 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -60.69 -29.48 69.35 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.1 m -72.02 -40.0 68.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 6.7 mp -101.32 -56.82 2.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.281 -0.887 . . . . 0.0 108.64 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 25.5 t0 -78.42 55.2 1.55 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.42 2.51 2.29 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' B' ' 61' ' ' ASP . 75.4 m-20 -83.84 -31.75 25.63 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.27 78.09 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.744 -2.142 . . . . 0.0 107.744 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.5 p30 -84.8 2.09 43.83 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.04 33.24 84.89 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -141.56 153.01 44.57 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.399 -1.059 . . . . 0.0 111.01 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.07 119.26 23.89 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 75.9 m-20 -78.84 169.92 17.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.438 -0.789 . . . . 0.0 109.383 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 25.4 p90 -58.57 -39.97 81.77 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 7.1 tt0 -60.72 -40.01 90.75 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 43.3 mt-10 -64.64 -39.99 94.67 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 109.492 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.436 ' CE1' HD21 ' B' ' 35' ' ' LEU . 2.4 t80 -59.95 -39.87 87.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.384 -0.822 . . . . 0.0 109.6 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.5 mmm -60.04 -37.49 79.97 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.18 -33.87 77.03 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.996 -1.065 . . . . 0.0 110.756 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.897 -1.127 . . . . 0.0 109.246 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.86 -44.32 97.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.362 -0.836 . . . . 0.0 108.848 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 81.9 p -60.02 -41.2 91.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.502 -0.749 . . . . 0.0 109.756 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.2 ttp -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.296 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' B' ' 76' ' ' PHE . 16.8 t -80.66 -29.27 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.032 -1.043 . . . . 0.0 109.265 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -65.05 -39.97 94.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.222 -0.924 . . . . 0.0 108.822 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.9 p -71.59 -42.88 67.2 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.887 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.1 67.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.841 -1.162 . . . . 0.0 109.857 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.71 -49.46 76.36 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.215 -0.928 . . . . 0.0 109.146 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.26 -45.88 91.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 0.0 109.627 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.14 -40.15 88.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 108.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--N 1.301 -1.507 0 O-C-N 121.691 -0.631 . . . . 0.0 109.814 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.425 ' C ' ' ND2' ' X' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.98 -49.62 76.95 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.706 -1.247 . . . . 0.0 110.158 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.92 -40.18 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.907 -1.121 . . . . 0.0 109.964 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.221 -0.924 . . . . 0.0 109.356 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.419 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -59.99 -49.49 77.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 110.195 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.73 -40.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.956 -1.09 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.96 -40.02 87.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.728 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.551 -179.692 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 1' ' ' SER . 12.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.05 -39.95 75.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.159 -0.963 . . . . 0.0 110.495 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.0 -23.66 66.61 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.808 -1.182 . . . . 0.0 110.357 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.5 tt0 -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.926 -1.109 . . . . 0.0 110.146 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -36.12 63.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.888 -1.133 . . . . 0.0 109.319 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.33 93.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.3 ttm -60.03 -40.23 88.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.239 -0.913 . . . . 0.0 109.825 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.98 -40.21 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.98 -47.52 85.46 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.528 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.21 -42.15 94.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.972 -1.08 . . . . 0.0 109.424 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.48 -44.0 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.95 -1.094 . . . . 0.0 109.49 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -70.02 -40.03 75.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.792 -1.192 . . . . 0.0 109.747 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ALA . 50.1 t -58.98 -32.79 48.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.02 -49.74 76.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.013 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.16 -35.23 73.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.768 -0.582 . . . . 0.0 112.371 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -59.96 -47.94 83.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.669 -1.27 . . . . 0.0 111.946 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -92.22 -35.97 13.52 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.683 -1.261 . . . . 0.0 110.711 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.0 p -63.58 -40.06 96.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.847 -1.158 . . . . 0.0 110.12 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.44 -2.6 82.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.38 -40.07 89.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.952 -1.322 . . . . 0.0 109.559 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.6 tt0 -152.23 149.3 28.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.203 -0.936 . . . . 0.0 109.194 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.0 -159.48 53.37 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.56 141.6 34.93 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.4 -1.059 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -79.99 -10.74 59.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.366 -0.833 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -73.51 -36.78 65.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.079 -1.013 . . . . 0.0 110.558 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.64 157.91 40.79 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.198 -0.939 . . . . 0.0 109.824 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.18 138.06 37.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.378 -0.826 . . . . 0.0 109.327 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 34.9 ttpt -107.55 151.44 25.59 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 13.4 ptpt -39.85 -44.45 1.63 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.46 -0.775 . . . . 0.0 110.567 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -61.76 -40.37 94.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.969 -1.082 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 63.8 mt-10 -70.03 -40.01 75.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.649 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.35 -40.06 95.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 109.081 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -55.14 -39.98 70.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.059 -1.026 . . . . 0.0 108.69 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -68.18 -39.98 82.39 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.4 -0.813 . . . . 0.0 108.835 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.02 -49.97 75.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.73 -0.607 . . . . 0.0 110.206 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.83 -39.96 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.206 -0.934 . . . . 0.0 110.415 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -80.91 -25.53 37.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.943 -1.098 . . . . 0.0 111.434 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -89.47 -29.23 19.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.47 -1.394 . . . . 0.0 111.417 -178.21 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' HD23 ' A' ' 40' ' ' LEU . 76.0 mm-40 -101.23 -16.34 17.02 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.896 -1.128 . . . . 0.0 111.326 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.745 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -161.98 64.35 0.24 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.555 -1.341 . . . . 0.0 110.596 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.82 -68.94 0.62 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.03 -1.044 . . . . 0.0 109.984 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p-80 -91.32 -9.42 45.02 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.17 -0.956 . . . . 0.0 109.868 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.1 m-85 -69.22 -39.88 78.3 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.135 -0.978 . . . . 0.0 108.428 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -129.04 -98.88 0.35 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -99.1 133.12 43.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.496 -0.752 . . . . 0.0 109.475 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.64 121.5 34.13 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.479 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.7 mm -96.71 113.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 122.096 0.95 . . . . 0.0 110.007 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.599 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -130.08 -8.84 4.34 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -122.15 152.06 40.3 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.379 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -75.7 -21.07 57.91 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 9.8 pt-20 -60.08 -42.85 95.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.488 -0.757 . . . . 0.0 110.045 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 47' ' ' ILE . 19.1 t -62.51 -49.99 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.72 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.565 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.75 -42.69 81.38 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 118.394 -1.322 . . . . 0.0 109.04 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -70.58 -40.0 73.55 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.98 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.9 -35.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 CA-C-O 121.432 0.634 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.8 tpt -72.01 -43.75 64.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.1 -31.0 69.63 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.9 m -65.01 -33.68 76.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.807 -0.558 . . . . 0.0 110.407 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.546 HD21 ' SD ' ' A' ' 79' ' ' MET . 4.0 mm? -103.85 -36.61 7.75 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 65.9 t0 -81.94 54.06 2.36 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.19 -3.79 4.31 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.7 m-20 -75.59 -35.96 60.43 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.96 82.31 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -82.49 1.17 39.03 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 70.04 28.96 71.02 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.56 -1.816 . . . . 0.0 108.56 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.3 mt-10 -145.39 158.59 43.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.307 -1.113 . . . . 0.0 110.273 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 119.98 23.21 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.03 170.02 17.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -0.765 . . . . 0.0 109.983 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.6 p90 -55.88 -40.66 73.28 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 63.5 tt0 -60.02 -42.87 95.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 108.558 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 60' ' ' LEU . 48.2 mt-10 -66.42 -40.06 89.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.449 -0.782 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 2.1 t80 -59.98 -37.29 79.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.83 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 mmt -60.01 -39.41 85.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.193 -0.942 . . . . 0.0 109.512 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.08 69.14 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.991 -1.068 . . . . 0.0 110.19 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.92 -1.113 . . . . 0.0 108.674 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -65.49 -41.12 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.8 m -59.93 -45.61 92.05 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.405 0.622 . . . . 0.0 109.658 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.546 ' SD ' HD21 ' A' ' 60' ' ' LEU . 45.3 mtp -61.15 -46.23 91.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.235 -0.916 . . . . 0.0 110.315 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -81.37 -30.47 11.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.463 -0.773 . . . . 0.0 109.919 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' VAL . 86.8 m -70.06 -39.94 75.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.19 -0.944 . . . . 0.0 108.597 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.6 m -70.5 -39.99 73.82 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.974 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.03 86.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.858 -1.152 . . . . 0.0 109.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.8 t -63.29 -41.9 99.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.294 -0.879 . . . . 0.0 109.591 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.92 -44.76 94.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.283 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -40.0 96.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.157 -0.964 . . . . 0.0 109.587 -179.569 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' B' ' 1' ' ' SER . 10.7 t . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.04 -40.02 75.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.002 . . . . 0.0 110.433 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.232 . . . . 0.0 110.339 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.462 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.02 -50.52 73.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.853 -1.154 . . . . 0.0 110.011 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -36.29 65.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.922 -1.111 . . . . 0.0 109.437 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.91 93.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.04 -1.037 . . . . 0.0 109.4 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.0 ttm -60.01 -40.31 88.79 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.442 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.02 -47.14 87.09 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.604 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.99 -41.74 97.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.409 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -44.07 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 0.0 109.404 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.03 -39.96 75.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.775 -1.203 . . . . 0.0 109.729 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 9' ' ' ALA . 48.4 t -59.02 -32.69 48.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.01 -49.93 75.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.373 -0.829 . . . . 0.0 108.929 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.03 -35.21 74.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.0 -47.94 83.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.0 112.017 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -92.26 -35.92 13.52 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.702 -1.249 . . . . 0.0 110.699 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 76.2 p -63.55 -40.0 95.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.924 -1.11 . . . . 0.0 110.159 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.81 -2.43 81.49 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -66.33 -39.99 89.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.965 -1.315 . . . . 0.0 109.508 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.0 tt0 -152.13 149.45 28.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.207 -0.933 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.84 -159.55 53.27 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.4 141.59 35.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -1.032 . . . . 0.0 110.221 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -80.1 -10.67 59.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.315 -0.866 . . . . 0.0 110.317 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -73.44 -37.1 65.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.084 -1.01 . . . . 0.0 110.528 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.63 157.82 41.03 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.02 138.01 37.68 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 109.374 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' B' ' 29' ' ' LYS . 35.0 ttpt -107.28 151.6 25.25 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 28' ' ' LYS . 13.4 ptpt -39.92 -44.12 1.63 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.465 -0.772 . . . . 0.0 110.512 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -62.01 -40.53 95.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.986 -1.071 . . . . 0.0 110.124 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 62.8 mt-10 -70.01 -40.03 75.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.118 -0.989 . . . . 0.0 108.686 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.31 -39.97 94.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.368 -0.832 . . . . 0.0 109.118 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -55.01 -40.03 69.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.014 -1.054 . . . . 0.0 108.622 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -68.27 -40.0 81.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.97 -49.99 75.52 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -68.69 -39.98 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.001 . . . . 0.0 110.391 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -80.88 -25.45 37.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.943 -1.098 . . . . 0.0 111.431 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -89.43 -29.68 18.86 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.436 -1.415 . . . . 0.0 111.318 -178.205 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.435 ' C ' HD23 ' B' ' 40' ' ' LEU . 76.4 mm-40 -101.01 -15.84 17.33 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.919 -1.113 . . . . 0.0 111.345 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.743 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -162.38 64.02 0.22 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.45 -1.406 . . . . 0.0 110.711 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.65 -69.04 0.61 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.015 -1.053 . . . . 0.0 110.049 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.4 p-80 -91.0 -9.66 45.14 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.168 -0.957 . . . . 0.0 109.868 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 86.6 m-85 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 108.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.8 mt -129.35 -99.15 0.34 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -98.84 133.31 43.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.401 -0.812 . . . . 0.0 109.477 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.73 121.6 34.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.2 mm -96.74 113.5 31.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-O 122.104 0.954 . . . . 0.0 109.955 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.614 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -130.1 -8.57 4.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -122.43 151.92 40.77 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.644 0.735 . . . . 0.0 110.321 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -75.6 -20.97 58.21 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 9.7 pt-20 -60.19 -42.92 96.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.546 -0.721 . . . . 0.0 110.121 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' B' ' 47' ' ' ILE . 19.3 t -62.47 -49.83 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.5 t -60.83 -40.58 85.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.597 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.95 -42.53 80.8 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.366 -1.334 . . . . 0.0 108.959 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -70.66 -39.99 73.26 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.96 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -74.87 -35.33 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 121.46 0.647 . . . . 0.0 109.318 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.483 ' O ' ' N ' ' B' ' 61' ' ' ASP . 5.8 tpt -71.99 -43.74 64.61 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -31.09 69.6 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' B' ' 60' ' ' LEU . 26.6 m -65.01 -33.71 76.69 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.739 -0.6 . . . . 0.0 110.372 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.539 HD21 ' SD ' ' B' ' 79' ' ' MET . 4.1 mm? -103.74 -36.89 7.7 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.0 t0 -81.74 53.93 2.28 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.2 -3.66 4.16 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -75.66 -35.84 60.3 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.79 82.57 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -82.56 1.27 38.84 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.87 28.98 71.24 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.4 mt-10 -145.33 158.45 43.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.303 -1.116 . . . . 0.0 110.267 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.57 120.05 23.45 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -80.01 169.98 17.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.479 -0.763 . . . . 0.0 109.979 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.5 p90 -56.09 -40.62 73.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.548 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.4 tt0 -60.02 -42.88 95.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 108.524 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 48.2 mt-10 -66.52 -39.91 88.87 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 2.1 t80 -60.03 -37.25 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.887 . . . . 0.0 109.36 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.8 mmt -59.93 -39.42 85.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.124 -0.985 . . . . 0.0 109.548 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . . . -66.47 -29.26 69.33 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.042 -1.036 . . . . 0.0 110.208 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -60.04 -41.37 92.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.916 -1.115 . . . . 0.0 108.73 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.2 OUTLIER -65.29 -41.13 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 20.4 m -59.98 -45.54 92.38 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.388 0.613 . . . . 0.0 109.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.539 ' SD ' HD21 ' B' ' 60' ' ' LEU . 49.4 mtp -61.18 -46.46 90.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.264 -0.897 . . . . 0.0 110.285 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.06 -30.58 11.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.492 -0.755 . . . . 0.0 109.935 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.506 ' N ' ' O ' ' B' ' 77' ' ' VAL . 96.2 m -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 108.649 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -70.62 -40.01 73.41 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.074 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.99 86.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.832 -1.168 . . . . 0.0 109.511 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.15 -42.02 99.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.883 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.01 -39.97 96.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -0.764 . . . . 0.0 109.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 0.0 109.641 -179.557 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.33 -39.32 92.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.94 -42.52 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.511 -0.743 . . . . 0.0 110.842 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.491 1.621 0 O-C-N 120.863 -1.148 . . . . 0.0 108.501 -179.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.29 -39.57 92.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.0 -42.35 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.443 -0.786 . . . . 0.0 110.858 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Y' ' 11' ' ' LEU . 1.1 mm? -60.03 -39.4 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.841 -1.162 . . . . 0.0 108.674 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.474 -179.652 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -69.68 -38.7 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 109.897 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.86 -23.6 63.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.848 -1.157 . . . . 0.0 110.489 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' B' ' 43' ' ' PHE . 86.2 tt0 -59.89 -48.79 80.26 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.74 -1.225 . . . . 0.0 110.106 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -69.75 -36.67 75.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.948 -1.095 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.06 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.318 -0.864 . . . . 0.0 110.366 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 mmm -61.43 -40.67 95.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.897 -1.127 . . . . 0.0 109.05 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.54 -40.02 83.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.04 -45.49 85.22 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.849 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.09 -44.75 94.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.981 -1.074 . . . . 0.0 109.048 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.48 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.031 -1.043 . . . . 0.0 109.335 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -64.55 -39.92 94.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.865 -1.147 . . . . 0.0 109.418 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ALA . 25.3 t -55.9 -33.83 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 83.3 t80 -59.98 -48.47 81.57 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.416 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -67.42 -33.78 75.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.68 -0.637 . . . . 0.0 111.84 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.683 -1.261 . . . . 0.0 110.518 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.3 -34.82 9.84 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.994 -1.066 . . . . 0.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -69.05 -40.05 78.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.055 -1.028 . . . . 0.0 109.682 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.18 3.22 62.76 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 55.8 ttt180 -65.4 -39.43 92.18 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.398 -1.06 . . . . 0.0 109.184 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.73 166.94 12.57 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -59.04 -39.47 94.35 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 45.4 p-10 -67.9 70.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.311 . . . . 0.0 109.662 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' GLY . 63.8 tttp -69.33 -29.85 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.798 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -71.83 -32.41 67.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.0 110.514 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -125.05 148.86 48.3 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 109.833 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.18 120.61 42.59 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.579 -0.7 . . . . 0.0 109.596 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 30.5 ttmt -82.72 152.13 25.9 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.4 ptpp? -43.06 -37.47 1.98 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.026 -1.046 . . . . 0.0 110.169 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -61.47 -40.94 96.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.858 -1.151 . . . . 0.0 109.778 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 47.8 mt-10 -70.07 -39.97 75.31 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.054 -1.029 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD22 ' SD ' ' A' ' 57' ' ' MET . 13.7 tp -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.969 -1.082 . . . . 0.0 108.276 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -57.8 -40.07 79.05 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.14 -39.92 90.2 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -58.84 -49.47 77.62 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.09 -47.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.497 -0.752 . . . . 0.0 111.115 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -73.07 -24.77 60.72 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.397 -1.44 . . . . 0.0 111.528 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -87.18 -29.71 21.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.784 -1.198 . . . . 0.0 111.221 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 40' ' ' LEU . 81.4 mm-40 -102.94 -25.01 13.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.875 -1.141 . . . . 0.0 109.848 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 39' ' ' GLU . 19.3 mt -118.34 44.29 2.27 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.76 -89.81 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.706 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -107.17 -10.24 15.91 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.339 -0.851 . . . . 0.0 110.286 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 88.3 m-85 -69.11 -32.84 72.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 108.749 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -134.1 -159.82 1.0 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.09 133.71 11.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.0 109.435 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -100.73 123.57 45.12 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HG11 ' A' ' 52' ' ' VAL . 48.2 mm -90.95 109.77 21.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.861 0.839 . . . . 0.0 109.683 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.25 -10.69 7.0 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.527 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.7 tp10 -124.17 135.03 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.295 0.569 . . . . 0.0 109.975 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -62.34 -23.62 66.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.325 -0.86 . . . . 0.0 109.422 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.03 -40.03 87.9 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.107 -0.995 . . . . 0.0 109.537 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 47' ' ' ILE . 47.8 t -62.4 -46.91 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 t -60.0 -42.0 88.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.769 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.63 -45.61 74.88 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.043 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.39 -39.98 81.52 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' VAL . 42.8 t -70.03 -36.83 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.4 mmm -71.27 -39.96 71.24 Favored 'General case' 0 C--O 1.199 -1.576 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 85.8 tt0 -58.42 -30.19 66.68 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.846 -1.159 . . . . 0.0 107.974 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 91.9 m -66.46 -40.02 89.15 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLU . 70.1 mt -105.81 -45.38 4.4 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.151 -0.968 . . . . 0.0 108.868 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.7 t0 -71.58 52.96 0.21 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' LEU . 73.6 mm-40 -67.08 3.79 1.06 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.743 0.782 . . . . 0.0 108.891 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 61' ' ' ASP . 90.6 m-20 -83.35 -32.08 26.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.18 10.65 83.47 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.3 p-10 -86.13 2.05 48.24 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.48 30.25 76.19 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.0 mt-10 -142.86 152.31 42.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.497 -1.002 . . . . 0.0 110.116 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.4 t -127.45 120.16 27.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.1 t70 -82.51 170.01 15.7 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.109 -0.995 . . . . 0.0 109.732 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.1 t80 -48.59 -49.4 36.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.28 -41.32 93.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.694 -0.629 . . . . 0.0 110.875 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.92 -40.0 75.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.891 -1.13 . . . . 0.0 108.938 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 t80 -69.52 -34.14 73.83 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.451 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -58.97 -34.82 72.25 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.21 -24.82 64.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.643 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 33.8 t80 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.074 . . . . 0.0 108.743 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -40.16 81.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 120.971 -1.081 . . . . 0.0 108.548 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.417 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 51.8 m -65.56 -42.13 92.19 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.538 -177.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.56 -39.89 73.69 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.439 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 t -77.44 -33.06 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.757 -1.214 . . . . 0.0 109.459 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.6 m -67.07 -39.97 86.95 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.729 -1.232 . . . . 0.0 108.311 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -69.92 -40.08 75.76 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.437 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.96 97.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.024 -1.048 . . . . 0.0 109.967 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 t -63.72 -41.72 98.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.79 -40.28 94.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -0.947 . . . . 0.0 109.168 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.79 -40.67 93.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.424 -0.797 . . . . 0.0 109.919 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.298 -1.669 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.363 -179.595 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.41 -38.62 78.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.0 109.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.84 -23.72 63.34 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.875 -1.141 . . . . 0.0 110.527 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.1 tt0 -59.92 -49.18 78.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 109.951 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -69.26 -37.17 77.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 109.662 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.11 95.23 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 110.33 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.7 mmm -61.58 -40.46 94.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.796 -1.19 . . . . 0.0 109.019 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.66 -39.98 83.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.83 -45.61 85.43 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.923 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.03 -44.95 94.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.007 -1.058 . . . . 0.0 109.062 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.17 -49.4 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.03 -1.044 . . . . 0.0 109.433 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.73 -39.96 94.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.393 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 9' ' ' ALA . 29.5 t -55.84 -33.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 83.4 t80 -60.01 -48.74 80.47 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.353 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.26 -33.68 75.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.64 -0.662 . . . . 0.0 111.856 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.92 -40.05 87.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.642 -1.286 . . . . 0.0 110.585 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -100.2 -34.98 9.8 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.015 -1.053 . . . . 0.0 109.998 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -68.94 -40.07 79.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.001 -1.062 . . . . 0.0 109.707 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.16 3.32 62.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 55.5 ttt180 -65.3 -39.72 92.89 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.366 -1.079 . . . . 0.0 109.1 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -119.58 167.15 12.28 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -59.1 -39.66 94.67 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' OE1' ' B' ' 31' ' ' GLU . 45.0 p-10 -67.75 70.3 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.935 -1.332 . . . . 0.0 109.684 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 22' ' ' GLY . 64.8 tttp -69.47 -29.81 67.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 0.0 109.758 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -71.77 -32.18 67.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.624 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -125.2 149.16 48.23 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.169 -0.957 . . . . 0.0 109.773 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 54.6 mt -107.29 120.53 42.39 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.594 -0.691 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 29' ' ' LYS . 31.1 ttmt -82.61 152.27 25.99 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -43.19 -37.39 2.08 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.958 -1.089 . . . . 0.0 110.161 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 m -61.35 -40.87 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 47.7 mt-10 -70.06 -40.23 75.2 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.983 -1.073 . . . . 0.0 110.002 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' B' ' 57' ' ' MET . 13.3 tp -69.97 -31.57 69.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.941 -1.1 . . . . 0.0 108.401 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -57.57 -40.01 78.02 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.51 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 79.2 mm-40 -66.02 -39.98 90.7 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.701 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -58.95 -49.56 77.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.0 -47.3 69.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.507 -0.746 . . . . 0.0 111.136 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -72.78 -24.92 61.0 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.499 -1.376 . . . . 0.0 111.503 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -87.12 -29.87 21.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 -177.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 40' ' ' LEU . 81.3 mm-40 -102.79 -24.86 13.69 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.898 -1.126 . . . . 0.0 109.921 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' B' ' 39' ' ' GLU . 19.3 mt -118.45 44.42 2.26 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.7 m -52.79 -89.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.616 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -107.21 -10.28 15.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.446 -0.784 . . . . 0.0 110.304 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 88.8 m-85 -69.06 -32.81 72.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 108.757 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.22 -159.94 1.01 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.83 133.7 10.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.03 -1.044 . . . . 0.0 109.472 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.86 123.81 45.6 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' B' ' 52' ' ' VAL . 46.9 mm -90.97 109.79 21.48 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-O 121.954 0.883 . . . . 0.0 109.728 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.41 -10.48 6.9 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.2 tp10 -124.3 134.88 53.07 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.227 0.537 . . . . 0.0 109.976 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -62.15 -23.6 66.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.404 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 pp20? -60.04 -40.17 88.46 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.154 -0.966 . . . . 0.0 109.605 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.511 HG11 ' CD1' ' B' ' 47' ' ' ILE . 45.9 t -62.27 -46.93 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.01 -41.6 86.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.8 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.0 -45.57 73.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 118.779 -1.168 . . . . 0.0 109.041 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.51 -39.91 81.05 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -69.98 -36.84 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.5 mmm -71.33 -39.98 71.03 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.435 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.1 tt0 -58.59 -30.02 66.89 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 91.3 m -66.58 -39.89 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.295 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 62' ' ' GLU . 69.3 mt -105.84 -45.55 4.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.126 -0.984 . . . . 0.0 108.725 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.4 t0 -71.43 52.95 0.2 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 60' ' ' LEU . 74.0 mm-40 -67.1 3.88 1.04 Allowed 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 61' ' ' ASP . 90.6 m-20 -83.3 -32.19 26.47 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 10.58 83.38 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.2 p-10 -86.24 2.26 47.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.428 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.41 30.16 76.1 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.9 mt-10 -142.77 152.49 42.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 110.081 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 8.0 t -127.53 120.06 27.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.2 t70 -82.53 170.02 15.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.1 t80 -48.47 -49.52 35.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.14 -41.51 92.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.627 -0.671 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -69.66 -40.04 76.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.881 -1.137 . . . . 0.0 108.99 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 t80 -69.84 -33.77 72.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -58.99 -34.86 72.32 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -25.05 64.11 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.566 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 76' ' ' PHE . 33.4 t80 -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.924 -1.11 . . . . 0.0 108.879 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -40.0 80.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 O-C-N 121.009 -1.057 . . . . 0.0 108.587 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -65.62 -42.14 91.91 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.634 -177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.59 -40.0 73.5 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 118.34 -1.344 . . . . 0.0 110.442 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -77.18 -33.4 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.778 -1.201 . . . . 0.0 109.508 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -66.87 -39.84 87.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.716 -1.24 . . . . 0.0 108.364 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 84.7 m -69.82 -40.09 76.09 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.182 0.515 . . . . 0.0 110.489 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.29 98.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 110.016 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.67 -41.67 98.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.186 -0.946 . . . . 0.0 109.467 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -61.79 -40.22 94.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.18 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.96 -40.73 94.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.447 -0.783 . . . . 0.0 109.843 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.299 -1.628 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.324 -179.583 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.377 0.608 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.42 -38.22 86.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.047 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -39.4 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 0.0 109.995 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 64.6 mt . . . . . 0 C--N 1.302 -1.5 0 O-C-N 121.205 -0.934 . . . . 0.0 109.176 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.28 -38.34 86.41 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 97.7 mt -60.03 -39.54 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.447 ' O ' ' OG1' ' B' ' 59' ' ' THR . 47.5 mt -57.76 -39.59 77.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.183 -0.948 . . . . 0.0 109.378 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.686 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.439 0.638 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.05 -38.28 85.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.475 -0.766 . . . . 0.0 110.044 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.84 -30.96 69.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.683 -1.261 . . . . 0.0 109.602 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.991 -1.068 . . . . 0.0 110.491 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -31.99 73.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.692 -1.255 . . . . 0.0 108.456 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.97 97.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.496 -0.752 . . . . 0.0 109.587 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.4 mtt -60.09 -40.01 88.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.02 -1.05 . . . . 0.0 108.974 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.87 -40.36 82.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -48.87 58.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.849 -0.532 . . . . 0.0 110.165 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' B' ' 10' ' ' LEU . 93.9 mt -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.106 -0.996 . . . . 0.0 110.121 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.28 -40.1 87.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.037 -1.039 . . . . 0.0 108.559 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.31 -39.92 77.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.268 -0.895 . . . . 0.0 110.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.43 -34.41 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.9 -48.46 81.59 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.469 -0.769 . . . . 0.0 109.378 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -70.11 -27.2 64.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.582 -0.699 . . . . 0.0 110.862 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.23 -46.17 90.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.167 -0.958 . . . . 0.0 111.355 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -101.72 -25.35 13.88 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.843 -1.161 . . . . 0.0 110.556 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -60.04 -40.13 88.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.562 -1.336 . . . . 0.0 108.234 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.43 4.39 59.77 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.001 -1.293 . . . . 0.0 108.854 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -129.45 161.2 30.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.699 -0.626 . . . . 0.0 109.422 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.56 -34.86 50.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.16 77.34 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.896 -1.355 . . . . 0.0 108.998 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.07 -16.46 56.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.0 109.647 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -71.29 -39.71 71.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.463 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -129.2 155.87 44.84 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.303 -0.873 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.44 115.0 29.45 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 80.0 tttt -80.01 156.9 26.94 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 13.2 ptpt -44.14 -40.24 4.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.048 -1.033 . . . . 0.0 110.012 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.4 m -60.09 -41.55 92.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.16 -0.963 . . . . 0.0 109.615 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -69.89 -40.07 75.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 35' ' ' LEU . 58.9 tp -65.22 -39.17 92.41 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.02 -40.5 89.52 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.556 -0.715 . . . . 0.0 109.871 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 50.1 tp10 -70.29 -40.05 74.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.94 -1.1 . . . . 0.0 108.842 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.721 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.01 -50.19 74.69 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.78 -0.575 . . . . 0.0 109.85 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -70.12 -41.73 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.909 -1.119 . . . . 0.0 110.058 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -65.87 -37.19 85.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.983 -1.073 . . . . 0.0 110.561 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.697 HD22 ' N ' ' A' ' 38' ' ' ASN . 1.2 m120 -86.22 -12.71 48.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.159 -0.963 . . . . 0.0 110.444 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -106.32 -27.71 10.83 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.4 mt -112.01 54.8 0.69 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 94.9 p -45.07 -99.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.517 -0.739 . . . . 0.0 111.039 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' N ' ' OG ' ' A' ' 41' ' ' SER . 72.7 m80 -114.34 -20.42 10.85 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 110.208 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.92 -39.08 84.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 108.744 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt -116.3 -162.57 0.85 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -60.06 135.14 57.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.921 -1.112 . . . . 0.0 110.318 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 5.0 pt-20 -99.19 116.23 30.91 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -83.35 126.88 40.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.979 0 CA-C-O 121.835 0.826 . . . . 0.0 109.01 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -138.55 -15.09 1.23 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 86.1 mt-10 -123.08 153.63 39.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.436 -0.79 . . . . 0.0 110.368 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.53 -23.72 62.68 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 pt-20 -60.67 -42.19 96.56 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.302 -0.873 . . . . 0.0 110.06 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 t -62.98 -47.02 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.28 -40.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.69 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.86 -40.06 79.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 118.748 -1.181 . . . . 0.0 109.47 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.93 -39.92 75.84 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.958 0.885 . . . . 0.0 108.843 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 52' ' ' VAL . 49.6 t -69.64 -39.21 77.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-O 121.734 0.778 . . . . 0.0 109.017 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' ASP . 53.6 mtp -70.69 -39.98 73.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.49 -33.69 76.14 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 94.7 m -69.76 -40.05 76.34 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.497 0.665 . . . . 0.0 110.088 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -102.61 -58.39 1.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' MET . 94.3 m-20 -84.69 60.82 6.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.77 5.13 0.67 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 61' ' ' ASP . 89.1 m-20 -71.51 -34.69 70.32 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.71 10.69 83.92 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 29.7 p-10 -78.57 -0.54 30.09 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.24 31.11 75.86 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 107.486 -2.246 . . . . 0.0 107.486 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -143.01 151.12 40.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.525 -0.985 . . . . 0.0 110.323 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 115.86 20.88 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.61 165.47 22.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.147 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 27.0 p90 -55.09 -40.02 69.96 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.202 -0.936 . . . . 0.0 108.858 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 61.8 tt0 -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.97 . . . . 0.0 108.739 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 -39.97 75.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.469 -0.769 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.695 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.4 t80 -59.74 -39.89 86.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.751 -1.218 . . . . 0.0 108.625 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -31.72 71.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.253 -0.904 . . . . 0.0 109.509 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -69.28 -31.35 69.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.931 -1.106 . . . . 0.0 109.986 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.01 -41.48 92.24 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.051 -1.03 . . . . 0.0 109.519 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -60.61 -44.08 96.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -63.77 -40.84 97.65 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.56 -45.01 95.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 110.469 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.6 -28.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.125 -0.985 . . . . 0.0 110.01 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 m -65.96 -40.02 90.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.067 -1.021 . . . . 0.0 109.047 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 p -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.745 -0.597 . . . . 0.0 110.554 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.87 95.58 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.043 -1.036 . . . . 0.0 109.904 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.89 -44.71 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.218 -0.926 . . . . 0.0 109.479 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -62.35 -40.44 96.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.431 -0.793 . . . . 0.0 110.367 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.068 -1.02 . . . . 0.0 109.909 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--N 1.301 -1.538 0 O-C-N 121.04 -1.037 . . . . 0.0 108.71 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.342 0.592 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.12 -38.1 85.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.539 -0.726 . . . . 0.0 110.041 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -59.95 -31.02 69.47 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.65 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.94 -50.05 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.049 -1.032 . . . . 0.0 110.451 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -32.25 73.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.494 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.68 96.33 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.482 -0.761 . . . . 0.0 109.513 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -60.14 -39.99 88.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.995 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.02 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.14 59.24 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.341 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 10' ' ' LEU . 88.5 mt -61.84 -41.03 97.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 109.935 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.9 -40.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.976 -1.077 . . . . 0.0 108.473 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.47 -39.78 77.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.4 -34.85 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.01 -47.89 83.98 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.401 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.47 -26.84 63.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.457 -0.777 . . . . 0.0 110.783 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.92 -46.88 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.11 -0.994 . . . . 0.0 111.358 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -101.57 -25.19 13.98 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.967 -1.083 . . . . 0.0 110.515 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -60.22 -39.84 88.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.559 -1.338 . . . . 0.0 108.083 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.79 60.38 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.29 . . . . 0.0 108.891 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -129.38 161.31 30.63 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.685 -0.634 . . . . 0.0 109.479 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.75 49.22 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.43 77.72 0.56 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.883 -1.363 . . . . 0.0 108.935 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.33 -16.53 56.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 109.5 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -71.31 -39.63 71.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 110.416 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -129.1 155.73 44.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.306 -0.871 . . . . 0.0 110.466 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.27 114.84 29.21 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 29' ' ' LYS . 83.8 tttt -79.95 157.2 26.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.946 -1.096 . . . . 0.0 108.109 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' B' ' 57' ' ' MET . 13.2 ptpt -44.62 -40.0 5.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.002 -1.061 . . . . 0.0 110.038 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.57 -41.18 94.1 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.494 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.527 HD12 HD23 ' B' ' 35' ' ' LEU . 58.6 tp -65.06 -39.02 92.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -59.88 -41.19 91.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.508 -0.745 . . . . 0.0 109.815 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 50.0 tp10 -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.003 -1.061 . . . . 0.0 108.897 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.0 -50.11 75.01 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.937 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.99 -41.88 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.841 -1.162 . . . . 0.0 110.047 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.62 -37.24 86.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.09 -1.006 . . . . 0.0 110.526 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.679 HD22 ' N ' ' B' ' 38' ' ' ASN . 1.2 m120 -85.96 -13.16 48.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 110.575 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.98 -27.61 11.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.284 -0.885 . . . . 0.0 108.72 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.03 54.75 0.69 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.6 p -45.05 -99.14 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.513 -0.742 . . . . 0.0 111.15 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.444 ' N ' ' OG ' ' B' ' 41' ' ' SER . 72.7 m80 -114.52 -20.27 10.82 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.381 -0.825 . . . . 0.0 110.129 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.01 -39.52 86.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.004 -1.06 . . . . 0.0 108.603 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -116.03 -162.47 0.84 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER -60.28 135.64 57.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.95 -1.094 . . . . 0.0 110.415 -179.177 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 5.1 pt-20 -99.45 116.21 31.07 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.45 126.99 40.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 CA-C-O 121.942 0.877 . . . . 0.0 109.015 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.549 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -138.58 -15.15 1.23 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -123.33 153.96 39.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 110.33 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.58 -23.85 62.66 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -60.59 -42.13 96.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.3 -0.875 . . . . 0.0 110.175 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.9 -47.15 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.01 -41.11 85.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.831 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.92 -40.21 79.18 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.868 -1.133 . . . . 0.0 109.203 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.84 -40.0 76.1 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.012 0.911 . . . . 0.0 108.764 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.39 -39.54 78.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.625 ' O ' ' N ' ' B' ' 61' ' ' ASP . 51.1 mtp -70.54 -40.07 73.63 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.93 -34.04 76.62 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 95.0 m -69.91 -39.96 75.87 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.497 0.665 . . . . 0.0 110.094 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -102.05 -58.96 1.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' B' ' 57' ' ' MET . 94.6 m-20 -84.61 60.61 6.2 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.84 5.45 0.64 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.987 0.898 . . . . 0.0 108.609 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.7 m-20 -71.54 -34.93 70.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.97 10.61 83.75 Favored Glycine 0 N--CA 1.482 1.724 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.4 p-10 -78.3 -0.83 30.36 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.5 30.87 75.65 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.561 -2.215 . . . . 0.0 107.561 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -143.06 151.26 40.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.378 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.36 116.07 21.31 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.83 165.61 22.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.122 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 27.0 p90 -55.09 -39.97 69.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.074 -1.016 . . . . 0.0 108.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.597 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.7 tt0 -62.97 -41.79 99.64 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.12 -0.988 . . . . 0.0 108.657 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.98 -39.98 75.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.554 -0.716 . . . . 0.0 110.69 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.6 t80 -59.89 -39.88 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.647 -1.283 . . . . 0.0 108.629 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -31.87 70.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.414 ' HB3' HD21 ' B' ' 60' ' ' LEU . . . -69.64 -30.89 68.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 109.993 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' B' ' 80' ' ' VAL . 71.1 t80 -60.13 -42.17 94.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.381 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.411 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -60.13 -43.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.6 t -63.73 -40.81 97.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.417 ' CE ' HG23 ' Y' ' 10' ' ' ILE . 60.4 ttp -61.43 -45.3 94.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 110.593 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -82.56 -28.94 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.165 -0.959 . . . . 0.0 109.872 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 87.1 m -65.89 -39.89 91.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.108 -0.995 . . . . 0.0 109.067 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -72.65 -40.31 66.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.688 -0.632 . . . . 0.0 110.536 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.88 94.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.9 t -65.23 -44.38 88.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.087 -1.008 . . . . 0.0 109.551 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.56 -40.2 96.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.333 -0.854 . . . . 0.0 110.299 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.35 -40.08 89.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.925 -1.11 . . . . 0.0 109.911 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--N 1.302 -1.464 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.688 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.668 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.45 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 56.6 tptt -60.9 -40.09 91.77 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.53 -40.04 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.559 -0.713 . . . . 0.0 111.564 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 59' ' ' THR . 6.9 mp . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.397 -1.439 . . . . 0.0 108.452 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.685 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.469 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 55.9 tptt -60.68 -40.03 90.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.417 HG23 ' CE ' ' B' ' 79' ' ' MET . 96.4 mt -61.6 -40.05 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.511 -0.743 . . . . 0.0 111.478 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.3 mp -59.85 -39.84 86.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.239 -1.538 . . . . 0.0 108.586 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.3 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.51 -38.64 81.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 0.0 109.952 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.97 -25.22 67.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.915 -1.116 . . . . 0.0 110.644 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -49.8 76.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.894 -1.129 . . . . 0.0 110.553 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -69.85 -39.96 76.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.395 -1.441 . . . . 0.0 109.054 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.59 97.07 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.377 -0.827 . . . . 0.0 109.893 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.6 ttm -60.05 -42.7 95.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.637 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.9 -40.0 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.98 99.77 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.344 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.72 -40.15 94.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.954 -1.091 . . . . 0.0 109.459 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' B' ' 84' ' ' CYS . 97.1 mt -62.26 -41.63 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.859 . . . . 0.0 110.035 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.99 -39.98 75.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.701 -1.249 . . . . 0.0 110.098 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.01 -34.36 56.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.013 -1.055 . . . . 0.0 108.483 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -58.28 -49.59 76.61 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -77.11 -27.71 54.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.333 -0.854 . . . . 0.0 112.221 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.01 -40.36 88.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.59 -1.319 . . . . 0.0 111.558 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.51 -30.95 9.7 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.875 -1.141 . . . . 0.0 110.579 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -61.91 -44.14 97.39 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.922 -1.111 . . . . 0.0 111.158 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.53 81.39 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.91 -1.138 . . . . 0.0 110.497 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -69.98 -41.62 74.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.823 -1.398 . . . . 0.0 110.726 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 53.8 tp10 -164.6 158.7 18.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.109 -0.994 . . . . 0.0 109.138 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -158.77 46.38 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.54 130.51 42.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -1.092 . . . . 0.0 109.773 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.26 -40.01 78.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.478 -0.764 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -76.98 -20.39 56.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 0.0 112.01 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.02 158.66 38.99 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.899 -1.125 . . . . 0.0 110.424 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.85 120.08 41.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.665 . . . . 0.0 109.558 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HZ2' ' CB ' ' A' ' 30' ' ' SER . 27.2 ttpp -93.3 150.39 20.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' LYS . 26.7 ttmt -36.94 -42.91 0.42 Allowed 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.217 0.532 . . . . 0.0 110.428 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.514 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 99.8 p -62.86 -42.31 99.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -0.935 . . . . 0.0 110.167 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 34.5 mt-10 -68.7 -40.06 80.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.973 -1.08 . . . . 0.0 108.524 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.45 -40.06 93.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.568 -0.708 . . . . 0.0 109.659 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.41 -40.05 85.41 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -65.19 -41.38 94.63 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.465 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.79 -49.96 75.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.655 -0.653 . . . . 0.0 110.013 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -80.93 -33.48 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.172 -0.955 . . . . 0.0 111.982 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 10.0 p-10 -77.27 -26.03 52.0 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.569 -1.957 . . . . 0.0 111.266 -177.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 3.7 m120 -108.97 -37.23 5.89 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 121.241 -0.912 . . . . 0.0 111.52 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' HD22 ' A' ' 40' ' ' LEU . 2.8 tm-20 -82.31 -22.15 35.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.584 -1.323 . . . . 0.0 108.688 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 39' ' ' GLU . 2.1 mm? -117.91 74.03 0.92 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' LEU . 4.2 m -59.91 -134.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.591 -0.693 . . . . 0.0 110.162 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -91.02 -1.46 57.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 109.581 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.97 -40.97 90.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' HD12 ' A' ' 40' ' ' LEU . 4.6 tp -120.37 -49.92 2.25 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.612 -0.68 . . . . 0.0 109.358 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.29 128.93 6.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.13 -0.981 . . . . 0.0 109.286 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -99.28 119.99 38.82 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -87.99 108.52 18.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-O 121.882 0.849 . . . . 0.0 109.541 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -13.75 8.6 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -123.65 148.55 46.36 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.676 0.75 . . . . 0.0 110.535 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.65 -20.43 61.26 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.21 -40.52 90.42 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.858 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.0 t -64.04 -50.07 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.4 t -59.98 -46.74 93.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.013 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.57 -42.62 99.66 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 120.781 -1.199 . . . . 0.0 109.402 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.08 -38.44 72.44 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -77.11 -32.45 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 121.796 0.808 . . . . 0.0 108.994 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -72.44 -40.38 67.09 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.19 -35.57 75.69 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -72.6 -24.15 61.04 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.511 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 72' ' ' GLU . 19.4 tp -104.9 -45.85 4.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.245 -0.909 . . . . 0.0 108.925 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 57' ' ' MET . 22.7 t0 -75.17 53.2 0.62 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -66.56 6.45 0.46 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.771 0.796 . . . . 0.0 109.115 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.7 m-20 -91.42 -28.07 17.89 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.6 6.84 88.19 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 39.6 p-10 -91.28 4.15 53.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.617 -0.931 . . . . 0.0 109.134 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.56 28.44 72.31 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 99.5 mt-10 -145.57 159.76 42.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.462 -1.022 . . . . 0.0 110.065 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 123.23 26.16 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 48.1 p-10 -82.82 171.84 13.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.754 -1.216 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 36.0 p90 -53.21 -43.03 66.89 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.263 -0.898 . . . . 0.0 109.385 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 4.6 tp-100 -60.09 -41.51 92.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.26 -0.9 . . . . 0.0 109.275 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.645 ' O ' HD11 ' A' ' 60' ' ' LEU . 31.0 mt-10 -67.13 -39.99 86.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -0.92 . . . . 0.0 110.059 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.09 -38.97 80.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 0.0 109.333 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.6 tpt -59.93 -34.79 73.7 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.798 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.08 68.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.031 -1.043 . . . . 0.0 110.22 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 80' ' ' VAL . 52.2 t80 -59.39 -40.01 85.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.885 -1.134 . . . . 0.0 108.068 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -39.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -60.88 -46.61 89.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.84 -0.537 . . . . 0.0 111.491 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.416 ' O ' ' OG1' ' A' ' 82' ' ' THR . 17.4 ptt? -70.0 -39.85 75.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.692 -1.255 . . . . 0.0 110.084 -178.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG13 HD13 ' X' ' 10' ' ' ILE . 12.2 t -72.82 -34.81 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.976 -1.078 . . . . 0.0 108.474 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 m -62.8 -39.89 95.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.199 -0.938 . . . . 0.0 108.641 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 79' ' ' MET . 7.2 p -64.66 -40.01 94.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.818 . . . . 0.0 109.883 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.68 72.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.063 -1.023 . . . . 0.0 110.607 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.557 ' SG ' HD11 ' B' ' 11' ' ' ILE . 15.1 p -61.12 -41.0 95.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.157 -0.964 . . . . 0.0 109.95 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.542 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 54.4 t-80 -60.02 -40.73 90.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 109.701 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.65 -40.34 95.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.205 -0.934 . . . . 0.0 109.918 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 110.306 179.431 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.25 -38.61 81.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.478 -0.764 . . . . 0.0 110.066 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.8 -25.52 67.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.914 -1.116 . . . . 0.0 110.621 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 8' ' ' VAL . 85.7 tt0 -59.96 -49.72 76.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.919 -1.113 . . . . 0.0 110.602 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -69.94 -39.98 75.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.441 -1.412 . . . . 0.0 109.009 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 0.0 109.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.5 ttm -60.22 -42.57 95.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 109.685 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.8 t -60.92 -39.94 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.04 99.38 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.498 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.57 -39.91 95.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.208 . . . . 0.0 109.215 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.557 HD11 ' SG ' ' A' ' 84' ' ' CYS . 97.3 mt -61.64 -41.96 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.87 . . . . 0.0 110.064 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.07 -39.94 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.694 -1.254 . . . . 0.0 109.998 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.02 -34.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.021 -1.049 . . . . 0.0 108.473 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.87 -49.14 78.89 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.478 -0.763 . . . . 0.0 109.718 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -77.49 -27.45 51.93 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 0.0 112.156 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.05 -40.51 89.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.648 -1.283 . . . . 0.0 111.537 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.33 -31.48 9.53 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 120.904 -1.123 . . . . 0.0 110.612 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.2 t -61.69 -44.06 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.143 . . . . 0.0 111.134 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.19 81.56 Favored Glycine 0 N--CA 1.494 2.544 0 C-N-CA 119.883 -1.151 . . . . 0.0 110.517 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -69.96 -41.87 73.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.77 -1.429 . . . . 0.0 110.657 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 54.0 tp10 -164.34 158.68 18.95 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.011 . . . . 0.0 109.057 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 -158.93 45.59 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.68 130.77 42.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.371 -1.076 . . . . 0.0 109.675 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.37 -40.08 77.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.458 -0.776 . . . . 0.0 109.972 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -76.88 -20.12 56.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 0.0 112.091 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -130.12 158.45 39.62 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.865 -1.147 . . . . 0.0 110.382 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.72 120.13 41.18 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.649 -0.657 . . . . 0.0 109.525 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.521 ' HZ2' ' CB ' ' B' ' 30' ' ' SER . 27.6 ttpp -93.14 150.57 20.41 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.321 -0.862 . . . . 0.0 109.205 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 28' ' ' LYS . 28.4 ttmt -37.04 -43.29 0.46 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.216 0.531 . . . . 0.0 110.363 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.521 ' CB ' ' HZ2' ' B' ' 28' ' ' LYS . 98.8 p -62.68 -42.24 99.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.12 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 35.8 mt-10 -68.72 -39.97 80.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.027 -1.046 . . . . 0.0 108.537 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.72 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.65 -39.94 86.05 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.28 -41.17 94.46 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.146 -1.022 . . . . 0.0 108.427 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 tp -60.75 -50.18 74.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.661 -0.649 . . . . 0.0 109.88 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.44 -33.92 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.227 -0.92 . . . . 0.0 112.04 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.576 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 9.4 p-10 -77.01 -26.08 53.42 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.472 -2.018 . . . . 0.0 111.341 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.576 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 3.7 m120 -109.01 -37.16 5.9 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.201 -0.937 . . . . 0.0 111.582 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.478 ' O ' HD22 ' B' ' 40' ' ' LEU . 2.7 tm-20 -82.4 -21.96 35.59 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.643 -1.286 . . . . 0.0 108.655 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' O ' ' B' ' 39' ' ' GLU . 2.4 mm? -117.86 73.83 0.91 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.8 m -59.75 -134.76 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.17 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -90.72 -1.51 57.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.98 -1.075 . . . . 0.0 109.633 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.04 -40.99 91.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.92 . . . . 0.0 109.629 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' B' ' 40' ' ' LEU . 4.2 tp -120.04 -50.63 2.26 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.639 -0.663 . . . . 0.0 109.346 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.38 129.31 7.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.193 -0.942 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -99.47 119.77 38.54 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -88.03 108.33 18.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 121.904 0.859 . . . . 0.0 109.376 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -13.89 8.73 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -123.53 148.55 46.2 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.679 0.752 . . . . 0.0 110.594 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.33 -20.62 61.45 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.06 -40.42 89.41 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.068 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.444 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.2 t -64.12 -50.01 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -60.12 -46.54 94.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -62.92 -42.59 99.85 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.434 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.12 -38.32 72.31 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 109.274 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.7 t -77.08 -32.36 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.798 0.808 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.57 ' N ' ' O ' ' B' ' 53' ' ' VAL . 10.1 tpt -72.58 -40.43 66.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.43 -35.23 75.33 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.8 m -72.78 -23.94 60.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.549 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.654 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.0 tp -105.04 -45.81 4.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.284 -0.885 . . . . 0.0 108.822 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 23.0 t0 -75.08 53.21 0.6 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -66.61 6.5 0.46 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.762 0.791 . . . . 0.0 109.087 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -91.46 -28.2 17.79 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.07 6.34 88.31 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.6 p-10 -91.14 4.24 52.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.492 -1.005 . . . . 0.0 109.165 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.46 28.47 72.4 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 99.6 mt-10 -145.51 159.93 42.37 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -1.04 . . . . 0.0 110.11 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.95 123.15 25.39 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 47.5 p-10 -82.55 171.74 13.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.855 -1.153 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 36.8 p90 -53.23 -42.89 66.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.427 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 4.7 tp-100 -60.31 -41.02 92.58 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.197 -0.939 . . . . 0.0 109.344 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.654 ' O ' HD11 ' B' ' 60' ' ' LEU . 30.4 mt-10 -67.2 -39.93 86.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.121 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.58 -38.87 82.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.993 -1.067 . . . . 0.0 109.336 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.8 tpt -59.93 -34.63 73.49 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 119.194 -1.002 . . . . 0.0 108.832 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.3 69.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 110.189 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.482 ' O ' HG23 ' B' ' 80' ' ' VAL . 53.8 t80 -59.45 -39.95 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.903 -1.123 . . . . 0.0 108.146 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.61 -38.49 79.12 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.07 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.18 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -61.5 -46.24 90.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.79 -0.569 . . . . 0.0 111.459 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.437 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.5 ptt? -70.19 -40.01 74.86 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.497 -1.281 . . . . 0.0 110.046 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.491 HG13 HD13 ' Y' ' 10' ' ' ILE . 11.9 t -72.81 -34.56 47.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.951 -1.093 . . . . 0.0 108.593 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.7 m -62.79 -39.86 95.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.105 -0.997 . . . . 0.0 108.578 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 79' ' ' MET . 9.7 p -64.52 -39.97 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.0 109.99 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.67 72.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 110.505 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 15.1 p -60.92 -41.12 95.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.08 -1.012 . . . . 0.0 109.839 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.552 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 54.7 t-80 -60.14 -41.04 91.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.645 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.98 -40.68 96.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.0 110.152 179.56 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.698 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.28 -40.08 86.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.507 HD13 HG13 ' A' ' 80' ' ' VAL . 75.6 mt -61.7 -45.03 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.088 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--N 1.299 -1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.487 -178.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.692 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.94 -39.98 83.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.945 . . . . 0.0 108.959 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.491 HD13 HG13 ' B' ' 80' ' ' VAL . 75.7 mt -61.51 -45.21 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.972 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.97 -39.95 87.4 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.0 109.564 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.81 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.31 -40.03 89.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 108.872 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD22 ' OE1' ' B' ' 39' ' ' GLU . 6.6 tt -59.97 -22.73 62.9 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.122 -0.986 . . . . 0.0 110.705 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.04 -51.79 68.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.816 -1.178 . . . . 0.0 110.405 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.67 -33.66 66.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.757 -1.214 . . . . 0.0 108.77 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.01 94.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.0 ttm -60.4 -40.04 89.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.294 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.01 -40.08 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.51 -46.17 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.318 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.16 -40.32 95.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.038 -1.039 . . . . 0.0 109.403 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.07 -47.19 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.031 -1.043 . . . . 0.0 109.561 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.99 -40.02 75.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.822 -1.174 . . . . 0.0 109.867 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' ALA . 38.3 t -58.94 -36.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.99 -48.54 81.28 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.435 -0.791 . . . . 0.0 109.551 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -70.0 -31.87 69.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.58 -0.7 . . . . 0.0 111.718 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.99 -43.94 94.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.925 -1.109 . . . . 0.0 111.155 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 35' ' ' LEU . 97.5 m-85 -94.47 -31.04 14.13 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.816 -1.177 . . . . 0.0 110.346 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 45.5 t -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 109.285 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.51 2.86 65.43 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.235 -1.156 . . . . 0.0 108.912 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' GLY . 81.1 tt0 -144.52 168.67 19.58 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -51.0 -173.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.024 -1.231 . . . . 0.0 110.024 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 26' ' ' LYS . 74.0 m-20 56.45 52.46 9.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.318 -1.107 . . . . 0.0 108.913 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 97.9 mttt -60.03 -32.5 70.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.445 -0.785 . . . . 0.0 110.336 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.97 -19.94 62.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 110.371 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.3 mttt -129.71 153.37 48.23 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.198 -0.939 . . . . 0.0 109.668 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.4 mt -113.41 128.75 56.56 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LYS . 38.0 ttpt -92.81 156.52 16.94 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 33.7 mtmt -42.77 -42.0 3.41 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.318 -0.864 . . . . 0.0 109.842 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -63.55 -40.03 95.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.277 -0.889 . . . . 0.0 109.726 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.76 -39.96 76.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.057 -1.027 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD22 ' SD ' ' A' ' 57' ' ' MET . 22.2 tp -70.02 -29.01 65.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.052 -1.03 . . . . 0.0 108.7 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.56 -40.04 81.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.236 -0.915 . . . . 0.0 108.611 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -57.9 -53.79 54.27 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.939 0.876 . . . . 0.0 108.949 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.97 -42.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.205 -0.935 . . . . 0.0 112.273 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' C ' HD22 ' A' ' 38' ' ' ASN . 39.4 t30 -73.6 -30.18 62.84 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.157 -1.589 . . . . 0.0 111.537 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.726 HD22 ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -90.94 -17.2 26.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.031 -1.043 . . . . 0.0 110.666 -177.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -107.6 -30.09 8.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.7 mt -113.32 32.41 5.78 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.282 -0.886 . . . . 0.0 108.727 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' LEU . 68.5 m -43.44 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.321 -0.862 . . . . 0.0 111.035 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -101.99 -16.7 16.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.202 -0.936 . . . . 0.0 110.27 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.32 -30.03 70.83 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.186 -0.947 . . . . 0.0 109.147 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -141.6 -158.82 0.9 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.359 -0.838 . . . . 0.0 108.85 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 1.1 tm-20 -49.26 138.47 12.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.027 -1.046 . . . . 0.0 109.854 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 17.5 pt-20 -103.68 128.24 51.04 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' A' ' 52' ' ' VAL . 44.4 mm -94.49 112.86 27.89 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.964 0.887 . . . . 0.0 110.035 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 -12.37 6.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.8 tp10 -124.19 140.05 53.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -66.9 -21.81 65.98 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.056 -1.027 . . . . 0.0 110.134 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.9 pt-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.329 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' A' ' 47' ' ' ILE . 29.8 t -61.52 -50.01 82.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.31 -42.47 90.78 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.037 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.156 -1.018 . . . . 0.0 108.968 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -68.01 -39.47 83.19 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' VAL . 44.3 t -70.02 -36.74 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 62.2 mmm -70.54 -39.9 73.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.07 -26.93 65.05 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -71.78 -38.44 70.31 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.403 0.621 . . . . 0.0 109.469 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.55 -60.41 1.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.1 t0 -74.86 57.15 0.77 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.21 2.76 1.44 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.6 m-20 -76.7 -32.11 57.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 10.62 79.26 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 54.5 p-10 -83.75 2.84 36.01 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.57 33.84 86.34 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.7 tp10 -142.27 143.04 32.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.569 -0.959 . . . . 0.0 110.373 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 t -126.72 124.44 39.78 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 41.0 p-10 -88.49 172.82 9.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 108.851 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 29.5 p90 -58.3 -40.03 80.89 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.089 -1.007 . . . . 0.0 109.179 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 54.6 tt0 -60.04 -42.64 94.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.132 -0.98 . . . . 0.0 109.401 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 81.5 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.988 -1.07 . . . . 0.0 109.971 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.28 -39.91 88.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.266 -0.896 . . . . 0.0 109.954 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.0 mmm -60.02 -34.8 73.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 0.0 108.905 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -27.91 68.19 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.99 -41.66 92.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.998 -1.064 . . . . 0.0 108.638 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.57 -44.15 98.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 t -60.05 -47.89 83.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.489 0.662 . . . . 0.0 109.442 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.18 -45.11 95.94 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.767 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.85 -29.61 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.78 -1.2 . . . . 0.0 108.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 73.1 m -67.59 -40.0 84.81 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -67.58 -40.03 84.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.62 -0.675 . . . . 0.0 109.845 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.36 98.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.859 -1.151 . . . . 0.0 109.192 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 55.9 m -64.84 -47.13 79.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.324 -0.86 . . . . 0.0 109.041 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -60.03 -40.9 90.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.754 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.9 -39.99 91.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.302 -1.482 0 O-C-N 120.912 -1.118 . . . . 0.0 108.499 179.789 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.172 0.511 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.4 -39.96 89.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.945 . . . . 0.0 108.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.472 HD22 ' OE1' ' A' ' 39' ' ' GLU . 6.6 tt -60.05 -22.75 63.08 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 110.691 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.9 -51.96 67.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 110.446 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.61 66.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.724 -1.235 . . . . 0.0 108.785 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.2 95.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -0.847 . . . . 0.0 109.484 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.15 -40.07 88.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.081 -1.012 . . . . 0.0 109.335 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.94 -40.33 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.19 -46.58 86.42 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.95 -40.2 94.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.21 -46.95 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.008 -1.058 . . . . 0.0 109.606 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.788 -1.195 . . . . 0.0 109.933 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 9' ' ' ALA . 39.5 t -59.01 -36.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.98 -48.67 80.77 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.546 -0.721 . . . . 0.0 109.517 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -70.0 -31.7 69.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.633 -0.667 . . . . 0.0 111.723 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -44.19 94.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.112 . . . . 0.0 111.045 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.526 ' CD2' HD22 ' B' ' 35' ' ' LEU . 97.4 m-85 -94.33 -30.86 14.3 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.81 -1.181 . . . . 0.0 110.437 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 45.1 t -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.62 3.0 65.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -1.168 . . . . 0.0 108.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLY . 81.1 tt0 -144.42 168.5 19.95 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -50.75 -173.44 0.01 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.8 m-20 56.18 52.23 10.59 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -1.099 . . . . 0.0 109.045 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 18' ' ' SER . 97.8 mttt -59.98 -32.19 70.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.11 -19.92 62.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.121 -0.987 . . . . 0.0 110.328 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 23' ' ' ASP . 99.0 mttt -129.79 153.41 48.26 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.152 -0.968 . . . . 0.0 109.703 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -113.54 128.64 56.51 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' B' ' 29' ' ' LYS . 38.0 ttpt -92.61 156.52 17.05 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 33.4 mtmt -43.02 -41.73 3.56 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.303 -0.873 . . . . 0.0 109.773 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -63.64 -40.03 95.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.721 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.489 HD22 ' SD ' ' B' ' 57' ' ' MET . 22.9 tp -69.96 -29.06 66.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.065 -1.022 . . . . 0.0 108.714 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.63 -40.04 82.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -65.57 -39.98 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -57.81 -53.81 54.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.899 0.856 . . . . 0.0 108.956 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.04 -42.61 79.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.272 -0.892 . . . . 0.0 112.308 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' C ' HD22 ' B' ' 38' ' ' ASN . 39.1 t30 -74.06 -29.99 62.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.155 -1.591 . . . . 0.0 111.431 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.749 HD22 ' N ' ' B' ' 38' ' ' ASN . 0.9 OUTLIER -90.94 -17.2 26.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.022 -1.049 . . . . 0.0 110.605 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.454 ' OE1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -107.55 -30.12 8.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 109.399 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -113.27 32.35 5.82 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.24 -0.912 . . . . 0.0 108.779 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -43.18 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.312 -0.868 . . . . 0.0 111.092 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.21 -16.27 16.39 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.14 -0.975 . . . . 0.0 110.287 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.85 -30.07 70.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.047 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mt -141.37 -158.83 0.9 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 1.1 tm-20 -49.21 138.26 12.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.977 -1.077 . . . . 0.0 109.837 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 17.6 pt-20 -103.52 128.27 50.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -94.6 112.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.212 0 CA-C-O 121.941 0.877 . . . . 0.0 110.17 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -12.11 6.79 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.5 tp10 -124.3 139.98 53.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -67.15 -21.8 65.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 110.078 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.8 pt-20 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -0.876 . . . . 0.0 109.317 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' B' ' 47' ' ' ILE . 34.2 t -61.69 -49.98 82.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.27 -42.33 90.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.043 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -68.36 -45.1 73.71 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.893 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -67.69 -39.32 84.45 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 52' ' ' VAL . 42.2 t -69.98 -37.01 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.34 -40.0 74.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.03 -26.45 64.58 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -72.18 -38.59 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.42 0.629 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.22 -60.85 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.8 t0 -74.57 57.23 0.72 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.28 2.57 1.58 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.8 m-20 -76.42 -31.99 58.24 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.43 10.57 79.6 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.631 -2.187 . . . . 0.0 107.631 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.4 p-10 -83.64 2.49 37.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.89 33.36 85.18 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.7 tp10 -141.83 143.21 33.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.626 -0.926 . . . . 0.0 110.359 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.05 124.58 39.63 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 41.2 p-10 -88.43 172.88 9.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 108.796 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.9 p90 -58.31 -40.27 81.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 109.225 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 55.2 tt0 -59.96 -42.68 94.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 109.396 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 81.2 mt-10 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.948 -1.095 . . . . 0.0 109.928 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.17 -40.02 88.47 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.98 -34.64 73.58 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.032 . . . . 0.0 109.054 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.88 67.99 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 109.648 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.98 -41.76 92.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.962 -1.086 . . . . 0.0 108.589 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -61.54 -44.1 98.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -60.09 -47.74 84.61 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.503 0.668 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.7 ttp -61.23 -45.22 95.44 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.437 -0.789 . . . . 0.0 110.741 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -79.85 -29.16 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.767 -1.208 . . . . 0.0 108.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' B' ' 77' ' ' VAL . 73.7 m -68.01 -40.04 83.07 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.0 p -67.34 -40.13 85.86 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.728 -0.607 . . . . 0.0 109.797 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.32 98.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.863 -1.148 . . . . 0.0 109.23 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 47.2 m -64.94 -46.95 79.43 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.29 -0.881 . . . . 0.0 109.02 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.804 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.79 -39.95 90.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.302 -1.477 0 O-C-N 120.905 -1.122 . . . . 0.0 108.523 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -62.89 -40.03 96.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 108.884 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.74 -40.1 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.47 -0.769 . . . . 0.0 110.944 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.301 -1.516 0 O-C-N 121.036 -1.04 . . . . 0.0 109.068 -178.351 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -62.87 -39.99 96.13 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 108.869 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.83 -40.14 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.486 -0.759 . . . . 0.0 110.989 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.896 -1.127 . . . . 0.0 109.233 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.3 -1.563 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.544 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.208 0.528 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.2 -39.61 95.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.203 -0.936 . . . . 0.0 108.96 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.42 -27.0 68.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.957 -1.089 . . . . 0.0 110.344 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 86.4 tt0 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.997 -1.064 . . . . 0.0 110.556 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.95 -39.2 79.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.776 -1.203 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.27 97.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.206 -0.934 . . . . 0.0 109.955 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.95 -42.74 94.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.907 -1.12 . . . . 0.0 109.365 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.96 -40.02 81.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.16 -45.25 94.24 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.634 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.87 -40.43 95.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.805 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.11 -45.03 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.0 109.727 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -70.02 -40.07 75.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.085 -1.01 . . . . 0.0 110.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' ALA . 48.1 t -57.97 -34.15 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 74.8 t80 -60.01 -47.15 87.02 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.234 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.15 -37.83 75.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.565 -0.71 . . . . 0.0 112.305 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.96 -42.03 93.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.784 -1.197 . . . . 0.0 112.349 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.16 -33.78 11.92 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.661 -1.274 . . . . 0.0 110.83 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.3 p -60.57 -40.0 90.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.818 -1.176 . . . . 0.0 110.198 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 4.02 64.57 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -60.01 -47.53 85.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -1.173 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 91.6 mt-10 -150.03 165.14 33.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.083 -1.011 . . . . 0.0 110.192 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.01 -156.13 1.51 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -79.47 146.35 32.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -1.024 . . . . 0.0 109.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -79.92 -9.11 59.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.31 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.18 -25.67 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.955 -1.091 . . . . 0.0 110.99 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -131.39 153.9 49.19 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.095 -1.003 . . . . 0.0 110.07 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -115.33 126.31 54.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.522 -0.736 . . . . 0.0 109.672 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.6 tttp -96.64 152.14 18.93 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.177 -0.952 . . . . 0.0 108.86 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 10.3 ttmm -35.29 -49.86 0.52 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.915 -0.491 . . . . 0.0 110.668 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -60.76 -40.44 92.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.946 -1.097 . . . . 0.0 110.452 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.0 mt-10 -70.04 -40.0 75.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.705 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' LEU . 13.7 tp -64.85 -40.02 94.49 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.874 -1.141 . . . . 0.0 108.15 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -48.91 -40.91 31.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 0.0 108.74 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -62.27 -40.77 97.31 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -60.05 -47.7 84.77 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 47' ' ' ILE . 5.1 mm -71.98 -48.74 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 111.606 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 42.0 p30 -74.94 -21.29 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.249 -1.532 . . . . 0.0 111.897 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.602 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -91.06 -52.09 5.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.868 -1.145 . . . . 0.0 111.132 -178.688 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' C ' HD22 ' A' ' 40' ' ' LEU . 98.6 mt-10 -85.49 -39.97 16.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.033 -1.042 . . . . 0.0 111.51 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 40' ' ' LEU . 1.8 mm? -97.85 24.52 6.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.273 -0.892 . . . . 0.0 108.753 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 40' ' ' LEU . 48.9 m -41.73 -103.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.487 0.66 . . . . 0.0 111.775 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 49.9 t-80 -97.28 -8.26 30.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.952 -1.093 . . . . 0.0 110.11 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.517 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 68.1 m-85 -65.84 -38.73 89.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 110.085 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -126.75 -57.17 1.36 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.388 -0.82 . . . . 0.0 110.119 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' LEU . 9.1 tm-20 -143.22 125.11 15.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.006 -1.059 . . . . 0.0 110.06 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -90.07 119.97 30.87 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 HG21 ' A' ' 36' ' ' ILE . 6.7 mm -88.79 120.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.415 1.102 . . . . 0.0 109.864 -177.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.676 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -127.36 -19.17 4.31 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -121.71 146.52 46.95 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.718 . . . . 0.0 110.482 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.99 -20.03 63.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.4 pt-20 -60.02 -41.87 93.09 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.551 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.6 t -61.3 -50.07 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.3 t -61.11 -47.94 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.111 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.38 -44.25 95.81 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.934 -1.104 . . . . 0.0 109.571 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 59' ' ' THR . 80.0 mttt -70.01 -39.8 75.61 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 52' ' ' VAL . 54.5 t -73.83 -33.74 38.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-O 121.698 0.761 . . . . 0.0 109.092 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.4 tpt -71.4 -42.88 67.78 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.44 -31.14 71.08 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 10.4 m -64.2 -29.06 70.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.7 mt -106.56 -40.32 5.59 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' ASP . 15.3 t0 -74.71 49.95 0.42 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -67.88 8.65 0.37 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' ASP . 93.8 m-20 -92.29 -24.15 19.06 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.01 6.32 89.55 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 40.0 p-10 -93.78 7.56 44.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.039 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.16 37.15 91.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.11 155.6 44.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.372 -1.075 . . . . 0.0 110.04 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.9 t -131.64 118.8 20.54 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -85.76 170.85 12.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 110.201 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -47.41 -48.04 26.4 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.74 -39.99 95.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.295 -0.878 . . . . 0.0 109.853 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 47.0 mt-10 -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.995 . . . . 0.0 109.986 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 11.8 t80 -69.92 -37.37 75.91 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.02 -32.46 70.9 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.34 65.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.12 -0.988 . . . . 0.0 109.281 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 80' ' ' VAL . 86.5 t80 -59.98 -40.32 88.7 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -64.14 -47.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -60.07 -48.87 79.93 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.417 0.627 . . . . 0.0 110.281 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HG23 ' X' ' 10' ' ' ILE . 13.8 tmm? -63.34 -42.13 98.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.571 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 76' ' ' PHE . 19.0 t -81.16 -29.65 11.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.989 -1.069 . . . . 0.0 109.174 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 53.9 m -65.44 -40.02 92.75 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.946 -1.096 . . . . 0.0 108.434 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 p -70.19 -39.51 75.18 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.605 -0.684 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.01 -45.76 91.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.978 -1.076 . . . . 0.0 110.426 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.8 p -66.8 -44.41 81.3 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.666 -1.271 . . . . 0.0 108.564 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -61.38 -40.36 94.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 109.613 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.0 -15.74 61.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.069 . . . . 0.0 109.636 -179.817 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.12 -39.94 96.15 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.199 -0.938 . . . . 0.0 109.014 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.32 -26.87 68.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 110.309 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.517 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.5 tt0 -60.03 -49.99 75.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.005 -1.059 . . . . 0.0 110.583 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -68.95 -39.41 79.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.736 -1.228 . . . . 0.0 109.594 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.52 98.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.28 -0.888 . . . . 0.0 110.029 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.5 ttm -60.01 -42.71 94.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.88 -1.137 . . . . 0.0 109.427 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -40.0 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -62.02 -45.05 95.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.621 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.26 -40.21 95.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.945 . . . . 0.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.47 -44.85 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.194 -0.941 . . . . 0.0 109.664 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -69.98 -40.0 75.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.115 -0.991 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 9' ' ' ALA . 50.2 t -57.96 -34.33 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.968 -1.083 . . . . 0.0 108.154 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 74.8 t80 -60.05 -47.07 87.38 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.168 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.16 -37.85 75.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.511 -0.743 . . . . 0.0 112.259 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.03 -41.93 93.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.73 -1.231 . . . . 0.0 112.353 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.19 -33.69 11.93 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.695 -1.253 . . . . 0.0 110.842 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -60.63 -40.01 90.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.883 -1.136 . . . . 0.0 110.124 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.34 4.06 64.78 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -60.02 -47.49 85.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.284 -1.127 . . . . 0.0 109.471 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 91.6 mt-10 -150.0 165.1 33.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.002 -1.061 . . . . 0.0 110.216 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.94 -155.98 1.52 Allowed Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.54 146.23 32.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -1.059 . . . . 0.0 109.532 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -79.97 -9.03 59.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 110.203 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.13 -25.68 60.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.95 -1.094 . . . . 0.0 111.012 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -131.41 153.88 49.24 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.053 -1.03 . . . . 0.0 110.02 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.8 mt -115.35 126.32 54.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.573 -0.704 . . . . 0.0 109.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' B' ' 29' ' ' LYS . 25.1 tttp -96.7 152.07 19.02 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.191 -0.943 . . . . 0.0 108.82 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 28' ' ' LYS . 10.7 ttmm -35.12 -49.92 0.49 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.963 -0.461 . . . . 0.0 110.72 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.68 -40.46 92.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.934 -1.103 . . . . 0.0 110.445 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 28' ' ' LYS . 97.9 mt-10 -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 109.762 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' B' ' 35' ' ' LEU . 13.1 tp -64.87 -40.01 94.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.977 -1.077 . . . . 0.0 108.189 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -48.93 -40.82 31.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.922 . . . . 0.0 108.807 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -62.26 -40.71 97.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -60.04 -47.66 84.95 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.511 HG21 HD11 ' B' ' 47' ' ' ILE . 5.1 mm -72.15 -48.61 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.909 -1.12 . . . . 0.0 111.548 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 42.1 p30 -75.13 -21.27 58.96 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.286 -1.508 . . . . 0.0 111.805 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.595 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.1 OUTLIER -91.07 -52.09 5.01 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.875 -1.14 . . . . 0.0 111.006 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.481 ' C ' HD22 ' B' ' 40' ' ' LEU . 98.8 mt-10 -85.49 -39.96 16.88 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.007 -1.058 . . . . 0.0 111.589 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.732 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.9 mm? -97.8 24.41 6.89 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.285 -0.884 . . . . 0.0 108.753 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.475 ' O ' ' O ' ' B' ' 40' ' ' LEU . 50.6 m -41.81 -103.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.423 0.63 . . . . 0.0 111.805 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 42' ' ' HIS . 49.8 t-80 -97.14 -8.16 30.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.985 -1.072 . . . . 0.0 110.113 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 68.0 m-85 -66.06 -38.44 88.32 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.063 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -127.07 -57.17 1.32 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.168 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 40' ' ' LEU . 9.0 tm-20 -142.92 125.02 15.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.961 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -90.13 120.02 30.95 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.511 HD11 HG21 ' B' ' 36' ' ' ILE . 6.9 mm -88.7 119.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-O 122.431 1.11 . . . . 0.0 109.966 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.67 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -127.35 -19.13 4.32 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -121.8 146.6 46.91 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.64 0.733 . . . . 0.0 110.388 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.01 -20.0 63.29 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.512 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.421 HG23 ' H ' ' B' ' 52' ' ' VAL . 1.6 t -61.2 -50.11 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -61.05 -48.09 90.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.131 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.36 -44.31 95.69 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.889 -1.132 . . . . 0.0 109.557 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.99 -39.69 75.75 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.981 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.5 t -73.72 -33.98 39.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 121.608 0.718 . . . . 0.0 109.089 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.556 ' N ' ' O ' ' B' ' 53' ' ' VAL . 13.6 tpt -71.22 -42.94 68.27 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.42 -31.15 71.07 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.6 m -64.22 -29.01 70.14 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 34.8 mt -106.52 -40.46 5.56 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 63' ' ' ASP . 15.3 t0 -74.83 50.04 0.44 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.95 8.76 0.36 Allowed 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.9 m-20 -92.44 -24.16 18.92 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.99 6.23 89.61 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 40.2 p-10 -93.74 7.67 43.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -1.05 . . . . 0.0 109.025 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.407 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.01 37.2 91.89 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.97 155.45 44.04 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.404 -1.056 . . . . 0.0 110.112 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.3 t -131.53 118.88 20.75 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.83 170.83 12.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.071 -1.018 . . . . 0.0 110.197 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.632 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -47.4 -48.12 26.28 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.77 -39.99 95.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.769 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.8 mt-10 -69.99 -41.59 74.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.1 -1.0 . . . . 0.0 109.956 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.593 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 12.2 t80 -69.65 -37.53 76.78 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 18.4 tpt -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.39 65.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.373 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.516 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.7 t80 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.18 -48.06 87.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.3 p -60.03 -49.07 79.11 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.418 0.628 . . . . 0.0 110.271 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.709 ' SD ' HG23 ' Y' ' 10' ' ' ILE . 13.7 tmm? -63.37 -41.95 98.83 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 110.589 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 76' ' ' PHE . 18.3 t -81.22 -29.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.07 -1.019 . . . . 0.0 109.096 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 51.7 m -65.34 -39.94 93.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.031 -1.043 . . . . 0.0 108.499 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -70.38 -39.37 74.59 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.677 -0.639 . . . . 0.0 109.968 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -60.03 -45.88 91.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.933 -1.104 . . . . 0.0 110.349 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 -44.65 81.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.727 -1.233 . . . . 0.0 108.57 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -61.12 -40.63 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 0.0 109.566 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.89 -15.66 61.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 120.905 -1.122 . . . . 0.0 109.616 -179.784 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.465 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.36 -40.42 97.22 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.706 HG23 ' SD ' ' A' ' 79' ' ' MET . 80.3 mt -63.05 -40.12 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.848 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.298 -1.64 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' ND2' ' N ' ' Y' ' 8' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -63.48 -40.23 96.57 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.709 HG23 ' SD ' ' B' ' 79' ' ' MET . 81.6 mt -63.17 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.791 . . . . 0.0 109.886 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.04 -39.35 85.63 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.28 179.505 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.369 0.604 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.35 -40.01 89.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.0 -31.78 70.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.088 -1.008 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' OE2' ' CG ' ' B' ' 43' ' ' PHE . 86.3 tt0 -60.0 -51.77 68.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.64 72.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.654 -1.278 . . . . 0.0 109.09 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.99 96.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.362 -0.836 . . . . 0.0 109.305 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.1 ttm -60.06 -38.43 82.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.491 -0.755 . . . . 0.0 109.675 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.87 -39.97 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.09 -42.02 99.52 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.68 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' B' ' 10' ' ' LEU . 91.1 mt -63.27 -39.98 96.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.285 -0.884 . . . . 0.0 110.004 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.45 -40.06 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.089 -1.007 . . . . 0.0 109.605 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -70.06 -39.56 75.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.981 -1.074 . . . . 0.0 109.512 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.8 t -59.3 -37.97 72.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -54.17 -50.03 67.94 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.028 -1.045 . . . . 0.0 109.729 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 15' ' ' HIS . 35.2 t-80 -79.06 -24.67 43.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.273 -0.892 . . . . 0.0 111.29 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.99 -44.53 94.44 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.045 -1.035 . . . . 0.0 111.62 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CD2' HD23 ' A' ' 35' ' ' LEU . 31.8 p90 -105.33 -29.32 10.35 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.893 -1.129 . . . . 0.0 111.157 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 t -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.841 -1.162 . . . . 0.0 109.858 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.47 64.1 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 20' ' ' ARG . 36.1 ttt-85 -62.17 -47.73 83.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.879 -1.365 . . . . 0.0 109.233 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 95.5 mt-10 -149.84 159.98 43.94 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.402 -0.811 . . . . 0.0 109.495 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.0 -171.02 32.35 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -81.96 158.08 24.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.44 -1.036 . . . . 0.0 109.386 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' NZ ' ' CD2' ' A' ' 15' ' ' HIS . 49.1 mtpt -80.0 -10.34 59.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.03 -35.7 64.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.512 -0.742 . . . . 0.0 110.665 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -130.03 157.96 40.92 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.242 -0.911 . . . . 0.0 110.58 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -119.58 126.29 50.84 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -84.72 158.58 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 108.909 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -50.92 -37.31 43.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.736 -1.227 . . . . 0.0 108.439 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.2 p -62.89 -42.82 99.91 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.385 -0.822 . . . . 0.0 109.703 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 84.7 mt-10 -70.0 -40.01 75.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.78 -32.75 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 0.0 108.204 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.07 -40.05 84.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -65.89 -41.51 91.44 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -60.02 -50.0 75.44 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.624 -0.672 . . . . 0.0 109.488 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.01 -40.19 67.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.594 -1.316 . . . . 0.0 110.692 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.57 -25.47 57.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.351 -1.468 . . . . 0.0 110.697 -178.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.708 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -89.71 -30.02 18.34 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.923 -1.111 . . . . 0.0 111.061 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 13.8 mp0 -95.53 -20.07 19.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.218 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 41' ' ' SER . 14.1 mt -112.89 56.97 0.67 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.102 -0.999 . . . . 0.0 108.465 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 40' ' ' LEU . 22.7 t -49.07 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -111.93 -4.03 14.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.359 -0.838 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 87.0 m-85 -69.99 -29.97 67.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.392 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.52 -159.32 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 138.38 11.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.117 -0.989 . . . . 0.0 110.261 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 41' ' ' SER . 18.0 tp10 -99.62 120.13 39.18 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 mm -92.84 118.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 122.197 0.999 . . . . 0.0 109.464 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.76 -10.77 1.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -122.93 149.35 44.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.631 -0.668 . . . . 0.0 110.0 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.2 -22.79 62.89 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 8.2 pt-20 -60.03 -43.12 95.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.484 -0.76 . . . . 0.0 110.478 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 47' ' ' ILE . 36.3 t -63.66 -46.86 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' MET . 39.6 t -59.99 -45.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.726 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -61.95 -46.89 87.31 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.618 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -69.38 -38.5 78.05 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.74 -36.79 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.1 mmm -70.02 -41.03 74.85 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.15 -31.05 71.49 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.334 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.26 -54.39 2.62 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' MET . 27.7 t0 -82.29 58.22 3.96 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.74 2.07 2.14 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.997 0.903 . . . . 0.0 108.743 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -73.67 -34.02 64.73 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 10.05 84.2 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 106.896 -2.481 . . . . 0.0 106.896 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.2 p-10 -79.65 1.4 26.39 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.93 76.58 Favored Glycine 0 N--CA 1.485 1.921 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.2 mt-10 -142.88 153.48 43.19 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.513 -0.993 . . . . 0.0 110.171 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 1.3 t -130.05 123.04 29.54 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -81.17 165.45 21.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.111 -0.993 . . . . 0.0 109.173 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.64 -40.02 62.35 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.025 -1.047 . . . . 0.0 108.905 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.25 -40.7 97.05 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.08 -1.012 . . . . 0.0 109.494 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -70.12 -40.32 74.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.981 -1.074 . . . . 0.0 109.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.513 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.7 t80 -65.93 -39.99 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.2 -32.62 71.26 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.78 65.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.291 -0.881 . . . . 0.0 110.305 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.88 -40.68 89.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.883 -1.135 . . . . 0.0 108.248 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -62.13 -49.78 82.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 108.467 179.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.9 p -63.67 -41.97 98.11 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.413 0.625 . . . . 0.0 109.932 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 ttp -60.96 -45.17 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.823 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 t -80.04 -28.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.325 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.1 m -60.48 -40.05 89.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.766 -1.209 . . . . 0.0 109.132 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -67.27 -39.98 86.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.606 -0.684 . . . . 0.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.0 -42.13 93.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.272 -0.893 . . . . 0.0 109.703 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.48 -40.02 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.118 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.425 -0.797 . . . . 0.0 109.912 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.045 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.299 -1.588 0 O-C-N 121.114 -0.991 . . . . 0.0 109.037 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.333 0.587 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.05 88.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.282 -0.886 . . . . 0.0 109.308 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.04 -31.69 70.21 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.046 -1.034 . . . . 0.0 110.763 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE2' ' CG ' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.05 -51.78 68.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.966 -1.084 . . . . 0.0 110.733 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.9 72.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.645 -1.285 . . . . 0.0 109.051 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.0 95.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.366 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.98 -38.49 82.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.45 -0.781 . . . . 0.0 109.662 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.89 -39.96 81.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.09 -42.29 99.59 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.651 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' A' ' 10' ' ' LEU . 91.3 mt -63.11 -40.0 96.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.888 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.41 -40.07 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 0.0 109.6 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.99 -39.55 75.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.049 -1.032 . . . . 0.0 109.455 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 9' ' ' ALA . 55.5 t -59.28 -38.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -53.78 -49.98 67.08 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.07 -1.019 . . . . 0.0 109.799 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' B' ' 15' ' ' HIS . 35.3 t-80 -79.09 -24.72 43.26 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.224 -0.923 . . . . 0.0 111.339 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.96 -44.51 94.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.101 -0.999 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.549 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -105.31 -29.28 10.38 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.945 -1.097 . . . . 0.0 111.064 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.1 t -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.926 -1.109 . . . . 0.0 109.946 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.83 3.63 63.92 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.3 ttt-85 -62.25 -47.8 82.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.921 -1.341 . . . . 0.0 109.138 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 96.3 mt-10 -149.88 160.05 43.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.388 -0.82 . . . . 0.0 109.485 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.92 -171.52 31.07 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.32 158.05 24.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.443 -1.033 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' CD2' ' B' ' 15' ' ' HIS . 48.6 mtpt -80.01 -10.41 59.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -73.9 -35.78 64.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.437 -0.789 . . . . 0.0 110.685 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -129.99 157.81 41.32 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.238 -0.914 . . . . 0.0 110.65 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -119.54 126.2 50.66 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -84.54 158.82 20.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 108.832 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.24 -37.16 45.49 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.752 -1.217 . . . . 0.0 108.414 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -62.94 -42.85 99.94 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.399 -0.813 . . . . 0.0 109.69 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 85.8 mt-10 -69.95 -40.05 75.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.979 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.57 -33.03 73.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.96 -1.087 . . . . 0.0 108.121 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.79 -39.99 82.72 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -66.15 -41.41 90.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.706 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.01 -49.97 75.59 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.555 -0.716 . . . . 0.0 109.453 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.681 -1.262 . . . . 0.0 110.675 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.719 HD22 ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -75.47 -25.37 57.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.445 -1.409 . . . . 0.0 110.701 -178.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.719 ' N ' HD22 ' B' ' 37' ' ' ASN . 0.7 OUTLIER -89.83 -29.97 18.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.895 -1.128 . . . . 0.0 111.027 -178.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 14.1 mp0 -95.67 -20.07 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.821 -1.174 . . . . 0.0 109.866 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.66 56.45 0.67 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.092 -1.005 . . . . 0.0 108.42 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.9 t -48.85 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -111.76 -4.13 14.75 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.47 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 87.0 m-85 -69.95 -30.04 67.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.765 . . . . 0.0 109.39 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.57 -159.38 0.95 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 138.31 10.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.129 -0.982 . . . . 0.0 110.27 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 41' ' ' SER . 18.0 tp10 -99.77 120.04 39.1 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.441 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.7 mm -92.71 118.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 122.171 0.986 . . . . 0.0 109.575 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.87 -10.68 1.55 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -123.1 149.31 44.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.647 -0.658 . . . . 0.0 110.059 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.17 -22.72 62.94 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 8.3 pt-20 -60.01 -43.1 95.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.482 -0.761 . . . . 0.0 110.41 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' B' ' 47' ' ' ILE . 35.6 t -63.62 -46.89 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.2 t -60.0 -45.43 95.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.803 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -62.03 -46.67 88.15 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.662 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.84 -38.26 76.44 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.61 -36.94 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.2 mmm -70.15 -40.67 74.61 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.57 -30.72 71.53 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -68.72 -40.07 80.1 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.283 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.47 -54.13 2.65 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 57' ' ' MET . 27.1 t0 -82.34 58.39 4.06 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.85 2.14 2.17 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.003 0.906 . . . . 0.0 108.736 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.1 m-20 -73.73 -34.05 64.61 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.39 10.1 84.01 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.2 p-10 -79.66 1.48 26.13 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.71 29.83 76.3 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.294 -1.922 . . . . 0.0 108.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.2 mt-10 -142.75 153.37 43.23 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.544 -0.974 . . . . 0.0 110.264 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 1.3 t -130.1 122.97 29.32 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.12 165.57 21.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.127 -0.983 . . . . 0.0 109.255 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.74 -40.07 62.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.001 -1.062 . . . . 0.0 108.929 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.2 -40.64 96.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.021 -1.05 . . . . 0.0 109.481 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.07 -40.47 75.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.969 -1.082 . . . . 0.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.51 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.7 t80 -65.84 -40.02 91.35 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.11 -32.75 71.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.74 65.78 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.307 -0.871 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.96 -40.96 90.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.88 -1.138 . . . . 0.0 108.11 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -49.86 82.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 108.532 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -63.79 -42.16 97.78 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.3 ttp -60.62 -45.2 94.94 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.866 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 t -80.0 -28.78 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.009 -1.057 . . . . 0.0 109.337 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -60.51 -39.98 89.76 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.753 -1.217 . . . . 0.0 109.144 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -67.24 -39.97 86.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.627 -0.67 . . . . 0.0 109.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -59.98 -42.16 93.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.68 -40.0 93.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.101 -0.999 . . . . 0.0 109.103 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -59.99 -39.99 87.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.454 -0.779 . . . . 0.0 109.87 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -60.03 -39.99 87.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.291 -0.881 . . . . 0.0 110.087 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 . . . . . 0 C--N 1.3 -1.582 0 O-C-N 121.159 -0.963 . . . . 0.0 109.041 179.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -60.25 -39.97 88.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 108.661 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 83' ' ' ALA . 89.0 mt -63.24 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.023 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.301 -1.503 0 O-C-N 121.417 -0.802 . . . . 0.0 108.907 -178.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.13 -40.05 88.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 108.57 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' B' ' 83' ' ' ALA . 88.2 mt -63.34 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.366 -0.834 . . . . 0.0 110.06 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.02 -39.98 87.71 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 0.0 109.003 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.608 -179.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.313 0.578 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -37.23 86.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.0 108.993 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.23 -24.05 67.53 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.965 -1.085 . . . . 0.0 110.824 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.711 -1.243 . . . . 0.0 110.058 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -33.33 71.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.2 . . . . 0.0 109.013 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.49 92.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 62.1 tpp -59.97 -40.69 89.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 0.0 109.039 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -40.12 82.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.78 96.05 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.515 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.13 -39.89 82.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.898 -1.126 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.71 -41.48 90.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.104 -0.998 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.88 -40.46 68.91 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 109.361 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 t -60.02 -32.02 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 56.4 t80 -60.01 -50.0 75.44 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.389 -0.925 . . . . 0.0 109.401 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -72.97 -27.9 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -0.947 . . . . 0.0 111.993 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.024 -1.047 . . . . 0.0 111.689 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.47 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 60.6 m-85 -117.01 -21.77 8.75 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.989 -1.069 . . . . 0.0 111.508 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.434 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 83.0 p -66.56 -36.71 83.33 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.438 -1.414 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.88 8.36 79.9 Favored Glycine 0 N--CA 1.495 2.594 0 C-N-CA 119.606 -1.283 . . . . 0.0 110.565 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -73.69 -40.02 63.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.677 -1.484 . . . . 0.0 109.65 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -147.72 153.02 38.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.27 -0.894 . . . . 0.0 109.111 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.88 -169.25 48.84 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -76.44 150.87 36.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.294 -1.121 . . . . 0.0 109.323 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.07 -39.07 88.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.697 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -79.94 -2.99 46.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.348 -0.845 . . . . 0.0 111.522 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.19 148.15 51.1 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.863 -1.148 . . . . 0.0 110.048 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.3 mt -120.01 112.26 18.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.626 -0.672 . . . . 0.0 109.28 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 24.4 ttpp -84.15 149.58 26.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.982 -1.074 . . . . 0.0 108.503 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.3 ptmt -40.41 -39.97 1.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.723 -0.61 . . . . 0.0 110.468 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.513 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -64.68 -44.37 90.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.176 -0.953 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 38.1 tt0 -69.32 -32.45 71.58 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.075 -1.016 . . . . 0.0 108.564 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.07 -36.04 79.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.622 -0.674 . . . . 0.0 109.297 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -59.94 -45.31 93.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.442 -0.786 . . . . 0.0 110.086 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.04 -34.44 73.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.039 -1.038 . . . . 0.0 109.693 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.02 -52.31 65.91 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.361 -0.837 . . . . 0.0 109.63 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.97 -43.73 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.01 -38.16 81.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.891 . . . . 0.0 110.979 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.4 t30 -82.75 -36.26 25.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.922 -1.111 . . . . 0.0 111.185 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -77.85 -40.74 39.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.361 -1.462 . . . . 0.0 108.496 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' SER . 11.8 mt -101.47 49.32 0.87 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 40' ' ' LEU . 24.7 m -47.25 -93.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.154 -0.966 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -116.59 -8.07 11.53 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.417 -0.802 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 108.716 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.75 -154.79 0.59 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -53.97 134.09 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.621 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 86.2 tt0 -106.81 122.29 46.1 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.04 109.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.966 0.889 . . . . 0.0 110.148 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -127.75 -8.04 5.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.9 tp10 -123.49 136.95 54.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.2 -23.4 67.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.257 -0.902 . . . . 0.0 109.955 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.4 pt-20 -59.74 -40.19 87.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.847 . . . . 0.0 110.067 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' VAL . 16.0 t -63.54 -49.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.0 t -59.94 -45.3 95.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.963 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -61.93 -46.11 90.78 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.143 -1.423 . . . . 0.0 108.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.13 -38.98 75.69 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.309 -0.87 . . . . 0.0 109.666 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' VAL . 41.8 t -76.48 -32.86 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-O 121.656 0.741 . . . . 0.0 109.092 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -70.66 -46.0 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.85 -31.45 72.64 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -69.58 -39.95 77.02 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.533 0.683 . . . . 0.0 109.432 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' O ' ' A' ' 72' ' ' GLU . 20.9 tp -91.12 -57.75 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 13.5 t0 -82.55 58.07 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -66.94 4.26 0.89 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.727 0.775 . . . . 0.0 109.247 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.9 m-20 -76.26 -26.72 56.25 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.39 10.05 85.81 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.7 p-10 -86.92 0.01 55.76 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.95 28.39 73.07 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 48.4 mt-10 -146.05 153.81 41.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.407 -1.055 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -129.84 126.51 38.2 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.37 170.05 16.48 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.883 -1.136 . . . . 0.0 109.095 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 32.8 p90 -57.14 -41.02 78.32 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.204 -0.999 . . . . 0.0 108.601 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 20.3 tm0? -59.97 -41.12 91.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.208 -0.932 . . . . 0.0 108.92 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' HD11 ' A' ' 60' ' ' LEU . 43.1 mt-10 -63.13 -40.05 96.47 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.308 -0.87 . . . . 0.0 109.053 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.03 -39.02 84.44 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.99 -34.16 72.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.14 71.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 110.577 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.0 -40.05 87.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.717 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.4 t -59.97 -40.0 81.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -59.92 -40.94 90.58 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.914 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -63.26 -46.47 86.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.93 -28.31 11.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -66.0 -40.06 90.82 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.037 -1.039 . . . . 0.0 108.676 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 p -74.7 -40.01 61.61 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.748 -0.595 . . . . 0.0 109.97 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.53 91.45 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 0.0 109.745 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.79 -44.15 90.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.203 -0.936 . . . . 0.0 109.406 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -62.74 -40.12 96.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.413 -0.804 . . . . 0.0 109.868 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.12 -39.89 87.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 C--N 1.301 -1.541 0 O-C-N 121.238 -0.914 . . . . 0.0 109.68 -179.324 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.317 0.579 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 108.945 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.72 -24.23 67.69 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.043 -1.035 . . . . 0.0 110.796 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -50.02 75.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.723 -1.236 . . . . 0.0 110.034 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.85 69.95 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.732 -1.23 . . . . 0.0 109.005 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.73 92.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 0.0 109.267 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.5 tpp -60.12 -40.75 90.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.902 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.07 -39.92 81.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.63 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.463 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.28 -40.02 81.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.138 . . . . 0.0 109.234 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.55 -41.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.127 -0.983 . . . . 0.0 109.097 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.73 -40.41 69.43 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.817 -1.177 . . . . 0.0 109.485 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.04 -32.14 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.81 -50.01 75.48 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.357 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -72.98 -27.86 62.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.198 -0.939 . . . . 0.0 112.065 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.92 -39.96 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.009 -1.057 . . . . 0.0 111.713 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 60.5 m-85 -117.28 -21.71 8.61 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.01 -1.056 . . . . 0.0 111.474 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 83.2 p -66.6 -36.75 83.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.534 -1.354 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.72 8.2 80.16 Favored Glycine 0 N--CA 1.495 2.615 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.618 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -73.5 -39.94 64.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.737 -1.449 . . . . 0.0 109.707 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -147.87 152.68 38.01 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.084 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.85 -169.22 48.79 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -76.49 150.78 36.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 109.295 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.02 -39.04 88.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 109.69 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -80.02 -3.0 46.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 111.448 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -129.27 148.25 51.18 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.903 -1.123 . . . . 0.0 110.115 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' B' ' 68' ' ' CYS . 20.6 mt -120.08 112.19 18.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.685 -0.634 . . . . 0.0 109.335 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' NZ ' ' OG ' ' B' ' 30' ' ' SER . 24.5 ttpp -83.96 149.63 26.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.908 -1.12 . . . . 0.0 108.553 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 17.2 ptmt -40.25 -39.93 1.03 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.47 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.531 ' OG ' ' NZ ' ' B' ' 28' ' ' LYS . 60.3 p -65.05 -44.02 90.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 110.265 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 38.0 tt0 -69.51 -32.54 71.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.047 -1.033 . . . . 0.0 108.541 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.04 -35.94 79.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.663 -0.648 . . . . 0.0 109.307 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.09 -45.43 92.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 0.0 109.969 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.05 -34.34 73.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -52.26 66.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.99 -43.63 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 110.181 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.04 -38.21 82.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.421 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.3 t30 -82.72 -36.15 26.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.915 -1.115 . . . . 0.0 111.25 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.93 -40.77 38.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.496 -1.377 . . . . 0.0 108.445 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 41' ' ' SER . 11.8 mt -101.49 49.32 0.87 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 40' ' ' LEU . 21.0 m -47.29 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -116.56 -8.28 11.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.422 -0.799 . . . . 0.0 109.515 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.98 -30.74 68.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.67 -154.6 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.21 134.42 44.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.107 . . . . 0.0 109.522 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' B' ' 48' ' ' LYS . 86.2 tt0 -106.96 122.79 47.13 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mm -92.5 109.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.044 0 CA-C-O 121.92 0.867 . . . . 0.0 110.033 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -127.62 -8.18 5.66 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.122 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 50.1 tp10 -123.31 136.93 54.91 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.13 -23.11 67.2 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.256 -0.903 . . . . 0.0 110.044 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.514 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -60.0 -40.25 88.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.378 -0.826 . . . . 0.0 110.008 -178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.4 t -63.51 -48.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 57' ' ' MET . 3.8 t -60.03 -45.23 95.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.072 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.98 -46.13 90.59 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.204 -1.398 . . . . 0.0 108.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.15 -38.88 75.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.36 -0.838 . . . . 0.0 109.748 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -76.65 -32.85 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-O 121.656 0.741 . . . . 0.0 109.045 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 53' ' ' VAL . 9.6 tpt -70.5 -46.21 64.14 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.92 -31.34 72.49 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.41 -39.86 77.65 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.561 0.696 . . . . 0.0 109.519 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.558 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.9 tp -91.24 -57.85 2.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 13.1 t0 -82.46 57.79 3.85 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -66.51 4.0 0.85 Allowed 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.727 0.775 . . . . 0.0 109.277 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.0 m-20 -76.11 -26.77 56.73 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 10.03 85.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.6 p-10 -86.94 -0.03 55.87 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.0 28.22 73.2 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.542 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 48.5 mt-10 -145.9 153.7 41.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.339 -1.095 . . . . 0.0 110.801 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -129.65 126.48 38.47 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.51 170.01 16.43 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.042 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 33.2 p90 -56.72 -41.43 77.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.113 -0.992 . . . . 0.0 108.554 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.549 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 20.4 tm0? -59.99 -40.97 90.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.96 . . . . 0.0 108.867 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.558 ' O ' HD11 ' B' ' 60' ' ' LEU . 43.1 mt-10 -63.22 -39.93 96.04 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.248 -0.908 . . . . 0.0 109.057 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.03 -38.98 84.31 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.2 tpt -60.06 -34.05 72.88 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.84 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.03 -40.13 88.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.85 -1.156 . . . . 0.0 108.837 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -59.99 -41.09 91.3 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.905 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtm -63.16 -46.57 86.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.114 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.79 -28.31 11.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.054 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.6 m -66.05 -39.94 90.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.118 -0.989 . . . . 0.0 108.798 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -74.78 -39.98 61.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 109.986 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.45 91.23 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.93 -44.05 90.75 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 109.444 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.89 -40.06 96.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 109.791 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.03 -39.95 87.65 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.341 -0.85 . . . . 0.0 110.569 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.932 . . . . 0.0 109.679 -179.338 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.15 -34.05 74.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.293 -0.88 . . . . 0.0 109.283 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 99.3 mt -60.01 -40.39 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 110.148 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.137 . . . . 0.0 108.862 -179.581 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.21 -34.08 74.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.254 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.04 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.888 . . . . 0.0 110.171 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -56.18 -40.06 73.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.825 -1.172 . . . . 0.0 108.924 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.535 179.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.7 -39.78 91.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.178 -0.952 . . . . 0.0 109.504 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -26.54 68.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.586 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.8 tt0 -60.02 -48.81 80.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.946 -1.096 . . . . 0.0 110.524 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -66.62 -39.68 88.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.593 -1.317 . . . . 0.0 109.471 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.34 87.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.299 -0.875 . . . . 0.0 110.19 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.3 -42.54 95.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.832 -1.167 . . . . 0.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.06 -40.28 82.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.41 94.07 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.802 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.14 -40.5 94.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.027 -1.046 . . . . 0.0 108.799 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -68.2 -40.3 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.702 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -74.07 -40.1 63.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.609 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.08 -34.9 58.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.97 -50.01 75.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.515 -0.741 . . . . 0.0 109.742 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -72.01 -31.8 66.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.533 -0.729 . . . . 0.0 110.767 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.49 89.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 111.427 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.491 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 89.4 m-85 -93.08 -28.22 16.48 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.779 -1.2 . . . . 0.0 111.024 -178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -65.83 -38.69 89.59 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.27 3.24 32.26 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.176 -0.952 . . . . 0.0 110.908 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -60.07 -47.39 86.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.35 . . . . 0.0 109.045 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -168.19 158.46 10.15 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.457 -0.777 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.12 -165.91 51.14 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 55.9 t0 -79.53 142.15 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.441 -1.035 . . . . 0.0 109.664 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.3 mtmp? -69.44 -27.77 65.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.473 -0.767 . . . . 0.0 109.954 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.99 -18.29 61.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.584 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.77 149.66 51.42 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.204 -0.935 . . . . 0.0 110.585 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.93 130.48 56.51 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpp -96.32 150.41 20.59 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.126 -0.984 . . . . 0.0 108.715 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.0 mtmt -37.44 -49.68 1.04 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.693 -0.629 . . . . 0.0 110.487 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -60.1 -39.92 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.052 -1.03 . . . . 0.0 109.794 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.1 mt-10 -64.34 -39.96 94.94 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 0.0 108.998 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.43 -37.27 80.12 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.38 -0.825 . . . . 0.0 109.11 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.49 -40.08 74.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.046 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.42 -40.53 81.17 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.059 -1.057 . . . . 0.0 108.255 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 73' ' ' PHE . 24.6 tp -60.0 -51.04 71.36 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.611 -0.681 . . . . 0.0 110.41 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.97 -40.6 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.065 -1.022 . . . . 0.0 110.567 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.46 -28.98 62.24 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.176 -1.578 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.491 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -86.65 -50.53 6.73 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.051 -1.031 . . . . 0.0 110.739 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' HD22 ' A' ' 40' ' ' LEU . 70.4 mm-40 -83.3 -43.51 15.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.938 -1.101 . . . . 0.0 110.706 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -98.76 30.99 3.08 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 40' ' ' LEU . 39.4 t -42.66 -104.07 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.264 0.554 . . . . 0.0 111.988 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 50.7 p-80 -92.53 -8.12 45.36 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.903 -1.123 . . . . 0.0 110.173 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.4 m-85 -69.1 -39.75 78.81 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.209 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 45' ' ' GLU . 10.7 mt -142.49 122.42 13.6 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -0.751 . . . . 0.0 109.683 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' LEU . 17.7 tp10 40.64 103.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.833 -0.542 . . . . 0.0 111.645 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -81.3 119.03 23.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -81.86 108.17 14.67 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.422 0 CA-C-O 121.971 0.891 . . . . 0.0 109.181 -178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.85 -15.68 10.65 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 80.2 mt-10 -122.77 152.92 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.818 0.818 . . . . 0.0 110.387 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.37 -21.19 60.58 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.54 -43.32 97.31 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.023 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.5 t -59.99 -49.58 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.5 t -60.34 -47.17 93.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.276 -0.875 . . . . 0.0 108.981 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.22 -43.71 95.79 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.196 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -70.01 -38.93 76.08 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.39 -0.819 . . . . 0.0 109.38 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.56 -31.75 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.098 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 53' ' ' VAL . 12.5 tpt -72.12 -41.84 66.73 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.13 -30.13 70.19 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 m -64.07 -32.68 74.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.295 0.569 . . . . 0.0 109.686 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 39.1 mt -104.45 -50.64 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 66.8 t0 -72.27 56.01 0.34 Allowed 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -66.49 7.93 0.29 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.701 0.762 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.8 m-20 -95.08 -27.81 15.41 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 10.08 85.98 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.0 p-10 -80.4 3.06 22.53 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.652 -0.911 . . . . 0.0 108.582 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.81 29.31 71.12 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.0 mt-10 -145.72 156.06 43.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.484 -1.01 . . . . 0.0 110.239 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.48 121.18 26.74 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -80.0 169.1 18.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 17.7 p90 -59.39 -39.94 84.97 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 53.3 tp60 -61.71 -40.35 94.72 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.359 -0.838 . . . . 0.0 108.801 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -70.03 -42.19 73.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.901 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.1 t80 -65.86 -34.56 78.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 108.96 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -32.05 70.49 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 108.777 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.25 65.33 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.018 -1.051 . . . . 0.0 109.742 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 66.4 t80 -60.0 -41.44 92.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.128 -0.983 . . . . 0.0 109.521 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -66.0 -40.59 87.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 120.969 -1.082 . . . . 0.0 108.49 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -65.21 -43.13 92.5 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.759 -0.588 . . . . 0.0 111.127 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -73.75 -39.99 63.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.857 -1.152 . . . . 0.0 110.813 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 42.7 t -77.49 -32.69 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.801 -1.187 . . . . 0.0 108.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -65.69 -39.84 91.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.975 -1.078 . . . . 0.0 108.23 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -63.92 -40.01 95.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.99 -41.63 92.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.058 -1.026 . . . . 0.0 108.54 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.38 -40.08 89.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.47 -0.769 . . . . 0.0 108.959 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.6 -6.16 10.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.53 -0.731 . . . . 0.0 110.4 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.7 t80 . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.085 -179.503 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.532 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.83 -26.64 68.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -0.913 . . . . 0.0 110.433 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.8 tt0 -59.73 -49.34 78.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.001 -1.062 . . . . 0.0 110.413 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.0 ptmt -66.34 -39.53 89.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.538 -1.352 . . . . 0.0 109.546 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -66.84 -41.62 87.13 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.896 . . . . 0.0 110.179 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 ttm -60.08 -42.53 94.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.819 -1.176 . . . . 0.0 109.001 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.98 -40.56 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.78 93.05 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.707 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.84 -40.66 93.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.981 -1.075 . . . . 0.0 108.879 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -68.07 -40.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 108.787 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -74.09 -40.11 62.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.086 -1.009 . . . . 0.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.7 t -60.09 -35.06 59.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.9 -50.02 75.41 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -71.77 -32.08 67.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.649 -0.657 . . . . 0.0 110.804 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.26 89.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 111.378 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 90.2 m-85 -93.08 -28.01 16.61 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.654 -1.279 . . . . 0.0 111.106 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -65.82 -38.88 90.12 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.961 -1.087 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.95 3.04 30.66 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.197 -0.939 . . . . 0.0 111.026 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -60.06 -47.4 86.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.886 -1.361 . . . . 0.0 109.078 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -168.24 158.37 9.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 109.621 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.98 -165.93 51.38 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 55.4 t0 -79.23 142.21 36.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.048 . . . . 0.0 109.808 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.51 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 8.4 mtmp? -69.43 -27.99 65.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -0.801 . . . . 0.0 109.933 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.73 -18.9 61.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.898 . . . . 0.0 110.631 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.15 149.87 50.78 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.135 -0.978 . . . . 0.0 110.643 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.84 130.55 56.46 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 31' ' ' GLU . 24.5 ttpp -96.27 150.48 20.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.149 -0.969 . . . . 0.0 108.668 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.8 mtmt -37.52 -49.65 1.07 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.692 -0.63 . . . . 0.0 110.489 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -59.96 -40.25 88.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.0 109.795 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 37.9 mt-10 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.0 109.124 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.25 -37.79 81.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.116 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -56.28 -40.06 73.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 108.989 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.16 -40.84 82.22 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.431 HD21 ' CE1' ' B' ' 73' ' ' PHE . 25.3 tp -59.99 -51.12 71.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.544 -0.722 . . . . 0.0 110.423 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.6 -41.02 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.047 -1.033 . . . . 0.0 110.574 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -73.33 -28.66 62.19 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.17 -1.581 . . . . 0.0 110.572 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.502 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -86.91 -50.53 6.63 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.907 -1.121 . . . . 0.0 110.722 -178.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' C ' HD22 ' B' ' 40' ' ' LEU . 70.3 mm-40 -83.2 -43.59 15.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.952 -1.093 . . . . 0.0 110.7 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -98.68 31.03 3.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.448 ' O ' ' O ' ' B' ' 40' ' ' LEU . 39.0 t -42.69 -103.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.773 -0.58 . . . . 0.0 112.137 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.0 p-80 -92.98 -7.93 44.49 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.882 -1.137 . . . . 0.0 110.176 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 87.3 m-85 -69.19 -39.86 78.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 45' ' ' GLU . 10.6 mt -142.44 122.63 13.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.784 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 44' ' ' LEU . 17.9 tp10 40.23 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 178.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.34 118.93 23.06 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 27.5 mm -81.78 108.28 14.72 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.93 0.871 . . . . 0.0 109.278 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.99 -15.59 10.58 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -122.76 152.57 40.5 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.766 0.793 . . . . 0.0 110.438 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.34 -21.28 60.58 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.38 -43.31 96.73 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.44 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.4 t -60.08 -49.57 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.5 t -60.37 -47.22 93.32 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.95 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.32 -43.45 96.35 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.217 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.06 -39.18 75.82 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.305 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -76.17 -31.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 CA-C-O 121.649 0.738 . . . . 0.0 109.101 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.6 tpt -71.95 -41.8 67.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.22 -30.08 70.22 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -64.24 -32.72 74.42 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 41.4 mt -104.13 -50.97 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 66.6 t0 -71.95 55.82 0.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.3 mt-10 -66.34 7.99 0.27 Allowed 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.702 0.763 . . . . 0.0 109.051 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.8 m-20 -95.12 -27.96 15.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.11 85.91 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.578 -1.809 . . . . 0.0 108.578 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.4 p-10 -80.48 3.35 21.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.585 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.52 29.07 71.71 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -145.68 155.84 43.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.454 -1.027 . . . . 0.0 110.353 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -129.69 121.21 26.5 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -79.79 169.09 18.44 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 109.554 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 18.8 p90 -59.43 -40.03 85.42 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 53.9 tp60 -61.54 -40.41 94.59 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.265 -0.897 . . . . 0.0 108.925 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -69.98 -42.0 73.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.137 -0.977 . . . . 0.0 109.825 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.5 t80 -65.97 -34.49 78.23 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 109.079 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -31.92 70.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.149 -0.969 . . . . 0.0 108.931 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.32 65.05 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.079 -1.013 . . . . 0.0 109.75 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' B' ' 80' ' ' VAL . 67.0 t80 -59.96 -41.2 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.147 -0.971 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -40.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 108.399 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -64.83 -43.32 93.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.809 -0.557 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.6 -40.0 64.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.82 -1.175 . . . . 0.0 110.907 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' B' ' 76' ' ' PHE . 44.6 t -77.68 -32.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.742 -1.224 . . . . 0.0 109.139 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 49.4 m -65.92 -39.98 91.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.002 -1.062 . . . . 0.0 108.163 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -63.57 -40.15 96.25 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.18 91.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.5 m -59.92 -41.31 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.973 -1.079 . . . . 0.0 108.596 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.74 -39.76 89.9 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.03 -5.78 10.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.687 -0.633 . . . . 0.0 110.394 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 120.994 -1.066 . . . . 0.0 110.127 -179.378 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' X' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.06 -39.87 75.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.619 -0.676 . . . . 0.0 109.724 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.34 -53.91 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.197 -0.939 . . . . 0.0 110.352 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.303 -1.453 0 O-C-N 121.44 -0.788 . . . . 0.0 109.295 -178.153 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.421 ' ND2' ' N ' ' Y' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -69.96 -39.93 75.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.94 -55.09 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.18 -39.8 87.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.356 -0.84 . . . . 0.0 109.521 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.386 179.859 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 86.4 tt0 -60.5 -39.96 89.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.373 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.44 -23.26 37.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.5 -0.75 . . . . 0.0 110.258 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.0 tt0 -59.96 -49.45 77.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 7.7 pttt -69.54 -29.41 66.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.778 -1.201 . . . . 0.0 109.154 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -75.52 -40.34 57.15 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.546 -0.721 . . . . 0.0 110.467 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.7 ttm -60.02 -45.34 93.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 110.059 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -61.61 -39.6 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.02 93.93 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.758 -0.589 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.86 -41.11 92.07 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.411 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.3 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.142 -0.974 . . . . 0.0 108.975 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.25 -42.54 54.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.335 -0.853 . . . . 0.0 109.967 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.5 -34.51 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' A' ' 18' ' ' SER . 86.1 t80 -59.08 -48.06 82.98 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 109.057 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -69.95 -30.67 68.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.198 -0.939 . . . . 0.0 110.952 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' OE1' ' B' ' 2' ' ' GLU . 77.0 mt-30 -59.9 -45.5 92.35 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.773 -1.205 . . . . 0.0 112.177 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' A' ' 35' ' ' LEU . 32.1 p90 -104.71 -28.62 11.1 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.776 -1.203 . . . . 0.0 110.714 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 93.6 p -60.08 -38.09 81.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.44 -1.413 . . . . 0.0 108.683 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.72 9.82 10.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -60.14 -37.31 79.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -1.106 . . . . 0.0 109.701 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -140.34 168.59 19.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.269 -0.894 . . . . 0.0 109.953 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.27 -29.64 16.4 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 26' ' ' LYS . 49.3 t0 -69.7 65.59 0.21 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.754 -1.439 . . . . 0.0 109.769 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' GLY . 54.7 mttm -72.65 -33.26 66.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.798 . . . . 0.0 109.666 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -70.68 -34.34 71.89 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.554 -0.716 . . . . 0.0 110.635 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 91.9 mttt -129.78 156.3 44.54 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.226 -0.921 . . . . 0.0 110.088 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -106.19 124.51 49.7 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.474 -0.767 . . . . 0.0 109.044 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' GLU . 78.7 tttt -91.46 151.86 20.61 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.0 108.616 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.2 ptpt -41.22 -39.56 1.37 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.382 -0.824 . . . . 0.0 110.034 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.5 p -63.61 -40.62 97.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.154 -0.966 . . . . 0.0 109.378 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' LYS . 43.4 mt-10 -67.43 -40.25 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.175 -0.953 . . . . 0.0 109.055 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -67.66 -40.02 84.5 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -59.89 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.443 -0.785 . . . . 0.0 109.352 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.4 mt -72.36 -42.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 120.592 -1.317 . . . . 0.0 110.24 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -73.63 -24.01 59.96 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.463 -1.398 . . . . 0.0 110.967 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' ND2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -90.09 -33.96 16.09 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.7 -1.25 . . . . 0.0 111.463 -178.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.534 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 39.5 mp0 -109.01 -32.75 7.13 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.856 -1.153 . . . . 0.0 111.049 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mm? -99.95 19.53 16.03 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.877 -1.139 . . . . 0.0 108.174 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 79.7 p -44.59 -101.21 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.813 -0.554 . . . . 0.0 111.932 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.545 ' N ' ' OG ' ' A' ' 41' ' ' SER . 55.6 t-80 -87.11 -22.39 25.42 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.154 -0.966 . . . . 0.0 111.391 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 97.3 m-85 -61.17 -30.18 70.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.648 -1.283 . . . . 0.0 108.801 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -141.36 -155.62 0.6 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -50.42 137.75 18.34 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.697 -1.252 . . . . 0.0 110.96 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 7.5 pt-20 -100.2 122.02 42.37 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 52' ' ' VAL . 40.4 mm -91.36 120.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 CA-C-O 122.032 0.92 . . . . 0.0 109.809 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.612 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -133.96 -12.02 2.58 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -122.03 153.0 39.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 0.0 110.329 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -72.47 -23.28 61.02 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.5 pt-20 -60.25 -45.54 92.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.401 -0.812 . . . . 0.0 110.136 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 47' ' ' ILE . 24.3 t -61.97 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 57' ' ' MET . 40.9 t -60.99 -44.02 97.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.844 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -63.73 -44.79 92.52 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.297 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 55' ' ' LYS . 9.1 mtpm? -69.36 -39.2 78.23 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.582 0.706 . . . . 0.0 109.192 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.25 -33.09 19.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.574 -0.704 . . . . 0.0 109.615 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.54 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.2 tpt -74.66 -41.9 59.46 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.96 -30.91 71.24 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.448 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.5 m -63.63 -34.91 78.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.917 -0.489 . . . . 0.0 110.325 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.35 5.66 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 66.1 t0 -78.76 56.39 1.87 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.41 5.64 0.54 Allowed 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.085 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 61' ' ' ASP . 91.4 m-20 -88.58 -31.17 18.75 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.24 11.24 83.72 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 49.2 p-10 -84.52 4.84 30.03 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.42 36.57 92.72 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.8 mt-10 -145.37 153.75 41.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.272 -1.134 . . . . 0.0 110.449 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 122.29 23.9 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -80.02 168.85 18.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 5.5 p90 -54.71 -42.27 71.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.947 -1.096 . . . . 0.0 108.526 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.523 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.4 tt0 -60.73 -40.99 94.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -0.899 . . . . 0.0 109.819 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.59 -40.13 96.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.998 -1.064 . . . . 0.0 109.67 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.79 -40.22 87.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.341 -0.849 . . . . 0.0 109.132 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.4 mmm -60.26 -37.13 79.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.356 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.62 78.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 110.524 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -58.42 -40.5 82.65 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.962 -1.086 . . . . 0.0 108.851 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.1 t -60.65 -43.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.235 -0.915 . . . . 0.0 108.767 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -60.48 -42.35 96.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.568 -0.707 . . . . 0.0 109.919 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.95 -45.59 92.99 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.468 -0.77 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.51 -28.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.168 -0.958 . . . . 0.0 109.92 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 94.0 m -68.38 -39.7 81.67 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -69.62 -39.76 76.99 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.797 -0.564 . . . . 0.0 109.691 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.19 96.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.99 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.3 -40.92 98.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.356 -0.84 . . . . 0.0 109.946 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -60.02 -40.1 88.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.045 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.93 -21.85 65.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.708 -0.62 . . . . 0.0 110.374 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.5 t80 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -178.672 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 81.7 tt0 -60.74 -39.75 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.54 -22.98 36.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.554 -0.716 . . . . 0.0 110.364 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.6 tt0 -59.8 -49.68 76.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 110.67 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.5 pttt -69.57 -29.68 67.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.735 -1.228 . . . . 0.0 109.217 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -75.08 -40.38 60.17 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.5 -0.75 . . . . 0.0 110.367 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.29 -45.39 93.51 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.875 -1.14 . . . . 0.0 110.0 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.39 -39.85 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.22 94.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.659 -0.65 . . . . 0.0 109.841 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.33 -41.23 89.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.994 -1.066 . . . . 0.0 108.295 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -43.17 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.165 -0.96 . . . . 0.0 108.794 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.28 -42.34 55.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.362 -0.836 . . . . 0.0 110.049 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t -57.77 -34.73 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.1 t80 -58.71 -47.96 82.78 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 109.163 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -70.02 -30.75 68.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.193 -0.942 . . . . 0.0 110.979 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 2' ' ' GLU . 76.0 mt-30 -59.88 -45.66 91.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.758 -1.214 . . . . 0.0 112.087 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.509 ' CD1' HD23 ' B' ' 35' ' ' LEU . 31.3 p90 -104.52 -28.56 11.22 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.895 -1.128 . . . . 0.0 110.887 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 96.7 p -60.1 -38.09 81.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.488 -1.382 . . . . 0.0 108.545 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.89 9.79 10.63 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 20' ' ' ARG . 34.4 ttt-85 -60.15 -37.09 79.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.244 -1.15 . . . . 0.0 109.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.43 168.67 19.26 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -50.24 -29.44 15.86 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 26' ' ' LYS . 49.2 t0 -69.94 64.86 0.23 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.726 -1.455 . . . . 0.0 109.933 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' B' ' 22' ' ' GLY . 55.4 mttm -71.58 -33.94 69.49 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.662 0.744 . . . . 0.0 109.816 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -70.79 -34.59 71.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.667 -0.646 . . . . 0.0 110.545 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 90.9 mttt -129.54 156.95 43.34 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.102 -0.999 . . . . 0.0 110.2 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.5 123.75 48.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.571 -0.706 . . . . 0.0 109.127 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' B' ' 31' ' ' GLU . 81.1 tttt -91.08 151.27 21.07 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.2 ptpt -40.97 -39.05 1.08 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.358 -0.839 . . . . 0.0 110.18 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -63.74 -41.03 98.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.132 -0.98 . . . . 0.0 109.212 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.2 mt-10 -67.11 -40.0 86.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.317 -0.864 . . . . 0.0 109.023 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -68.27 -36.18 79.01 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.036 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.96 -39.89 72.45 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.73 -40.03 84.24 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.707 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -59.83 -49.12 78.94 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.474 -0.766 . . . . 0.0 109.415 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 36' ' ' ILE . 41.8 mt -72.54 -42.48 63.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.672 -1.267 . . . . 0.0 110.245 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -73.42 -23.97 60.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.52 -1.363 . . . . 0.0 111.033 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OE2' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -89.97 -34.39 16.03 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.645 -1.284 . . . . 0.0 111.38 -178.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.535 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 39.9 mp0 -108.34 -32.87 7.28 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.792 -1.193 . . . . 0.0 111.115 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.99 19.91 15.37 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.985 -1.072 . . . . 0.0 108.194 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 96.3 p -45.06 -100.86 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.669 -0.645 . . . . 0.0 112.008 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' B' ' 41' ' ' SER . 56.2 t-80 -87.03 -22.59 25.38 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.233 -0.917 . . . . 0.0 111.347 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.54 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 97.1 m-85 -61.11 -30.41 70.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.794 -1.191 . . . . 0.0 108.803 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -141.26 -155.22 0.57 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.356 -0.84 . . . . 0.0 108.752 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -51.05 138.22 20.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.656 -1.278 . . . . 0.0 110.968 -178.169 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 7.2 pt-20 -100.24 122.12 42.54 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' B' ' 52' ' ' VAL . 37.4 mm -91.66 121.07 41.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-O 122.037 0.922 . . . . 0.0 109.79 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.582 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -134.66 -11.43 2.37 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -122.2 153.17 39.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.616 0.722 . . . . 0.0 110.39 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.54 -23.46 60.99 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.1 pt-20 -59.99 -45.61 92.14 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 22.6 t -62.09 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.8 t -60.78 -44.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.775 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.41 -45.13 92.42 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.764 -1.21 . . . . 0.0 109.389 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.496 ' HB3' ' HZ3' ' B' ' 55' ' ' LYS . 9.0 mtpm? -69.28 -38.97 78.59 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.02 -33.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 121.588 0.709 . . . . 0.0 109.528 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' ASP . 8.6 tpt -74.74 -42.02 59.05 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.58 -31.38 71.43 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.454 ' C ' HD22 ' B' ' 60' ' ' LEU . 27.7 m -63.42 -34.82 78.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.912 -0.493 . . . . 0.0 110.502 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.505 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.03 5.75 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.3 t0 -79.37 56.14 2.06 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.22 6.02 0.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 CA-C-O 121.695 0.759 . . . . 0.0 109.093 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' ASP . 91.7 m-20 -88.73 -31.07 18.62 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.86 84.33 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.071 -2.011 . . . . 0.0 108.071 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.4 p-10 -84.37 5.18 28.04 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 60.75 36.92 92.72 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -145.51 153.38 41.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.294 -1.121 . . . . 0.0 110.481 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.91 122.57 24.53 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -80.19 168.38 19.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.163 -0.961 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 5.6 p90 -54.66 -41.75 70.51 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.005 -1.059 . . . . 0.0 108.527 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 60.7 tt0 -61.39 -40.8 95.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.175 -0.953 . . . . 0.0 109.642 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.78 -39.92 95.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 5.0 t80 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.923 . . . . 0.0 109.035 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.19 -37.27 79.71 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.359 -0.838 . . . . 0.0 109.267 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.96 77.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 110.639 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.0 -40.42 84.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.003 -1.061 . . . . 0.0 108.925 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.3 t -60.67 -43.92 95.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -60.45 -42.69 96.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.585 -0.697 . . . . 0.0 109.848 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.79 -45.47 93.71 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 110.505 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.56 -28.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 109.83 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.0 m -68.17 -39.93 82.41 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.3 m -69.27 -40.07 78.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.803 -0.561 . . . . 0.0 109.614 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.6 97.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.268 -0.895 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.46 -40.72 97.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.815 . . . . 0.0 109.944 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.02 -40.08 88.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.017 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.56 -21.43 65.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.663 -0.648 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.949 . . . . 0.0 110.34 -179.021 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.61 -41.46 94.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.344 -0.847 . . . . 0.0 109.329 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.22 -47.8 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.204 -0.935 . . . . 0.0 110.467 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.008 . . . . 0.0 109.031 -178.694 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.96 -41.02 95.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.35 -0.844 . . . . 0.0 109.471 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.35 -47.9 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.296 -0.878 . . . . 0.0 110.184 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.06 -39.52 86.31 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.123 -0.985 . . . . 0.0 109.417 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.299 -1.589 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.233 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.454 0.645 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.98 -35.66 74.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.0 108.894 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' SD ' ' A' ' 7' ' ' MET . 6.7 tt -68.9 -26.42 65.09 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.325 -0.86 . . . . 0.0 110.453 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 87.2 mt-10 -60.06 -49.08 79.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.041 -1.037 . . . . 0.0 110.434 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.98 -37.59 75.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.915 -1.116 . . . . 0.0 109.601 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.35 92.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.299 -0.876 . . . . 0.0 109.913 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 3' ' ' LEU . 65.6 mtp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.835 -1.166 . . . . 0.0 109.261 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.0 -40.31 82.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.74 -45.16 87.66 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.991 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 10' ' ' LEU . 88.1 mt -62.94 -40.0 96.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.08 -1.012 . . . . 0.0 109.925 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.26 -42.18 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.647 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.51 -39.37 77.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.0 110.167 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.3 t -58.44 -35.76 55.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.082 -1.011 . . . . 0.0 108.352 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE2' ' NE2' ' B' ' 85' ' ' HIS . 85.2 t80 -59.83 -49.97 75.61 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.684 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -64.92 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.635 -0.666 . . . . 0.0 111.21 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -59.95 -46.72 88.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 111.547 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 98.9 m-85 -95.13 -26.07 16.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.77 -1.206 . . . . 0.0 111.215 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -65.19 -38.36 90.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.735 -1.228 . . . . 0.0 110.051 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.51 6.72 10.51 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 17' ' ' TYR . 18.6 mmt180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.054 -1.263 . . . . 0.0 109.894 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -136.02 160.92 37.14 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.419 -0.801 . . . . 0.0 109.777 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -48.49 -26.06 4.91 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.4 m-20 -70.37 46.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.0 ttpt -60.23 -29.66 68.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -0.913 . . . . 0.0 110.345 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.02 -35.77 74.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.062 -1.024 . . . . 0.0 110.57 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 67.4 mmtt -125.77 147.73 49.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 0.0 109.628 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -97.59 128.75 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -100.56 154.58 18.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.359 -0.838 . . . . 0.0 108.979 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -45.07 -35.02 2.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.165 -0.96 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -64.64 -43.86 92.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.9 -1.125 . . . . 0.0 109.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -68.8 -39.98 79.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 108.926 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.5 -39.85 92.44 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.635 0.731 . . . . 0.0 109.037 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.0 -42.62 94.65 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.13 -39.21 86.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.915 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.94 -50.35 74.1 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.792 -0.567 . . . . 0.0 110.81 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -77.71 -42.06 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.094 -1.004 . . . . 0.0 111.544 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 40.2 p30 -70.05 -22.59 63.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.288 -1.507 . . . . 0.0 110.746 -178.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -87.43 -34.45 18.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.968 -1.082 . . . . 0.0 112.308 -178.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.07 -29.67 8.84 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.597 -1.315 . . . . 0.0 111.628 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -97.81 13.71 29.56 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.862 -1.149 . . . . 0.0 108.624 -179.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' LEU . 36.7 p -44.59 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.275 -0.891 . . . . 0.0 111.162 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.41 -22.03 26.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -0.93 . . . . 0.0 110.372 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' ' OE2' ' B' ' 4' ' ' GLU . 79.5 m-85 -61.33 -39.01 88.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.948 . . . . 0.0 109.445 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.6 -142.81 0.14 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' LEU . 49.3 tp10 -60.0 133.35 56.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.756 -1.215 . . . . 0.0 109.644 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -98.55 119.3 37.03 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.76 118.84 46.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -128.51 -11.02 5.08 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -122.43 162.0 22.46 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.662 0.744 . . . . 0.0 110.246 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.09 -16.59 57.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.98 -45.39 89.23 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -62.07 -43.2 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' MET . 42.0 t -59.99 -46.68 93.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.41 -47.65 84.8 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -68.45 -35.89 78.23 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.9 -32.7 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.473 -0.767 . . . . 0.0 109.337 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.7 mmm -70.56 -41.82 71.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 108.92 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.06 -30.54 70.39 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.0 m -70.03 -39.73 75.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.908 -0.495 . . . . 0.0 110.749 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.44 -53.21 2.84 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.028 -1.045 . . . . 0.0 108.222 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.5 t0 -77.12 58.16 1.51 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.68 5.07 0.9 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.9 m-20 -77.56 -29.51 52.18 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 178.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.6 86.05 Favored Glycine 0 N--CA 1.485 1.913 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p-10 -88.45 1.89 53.88 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.88 36.23 92.49 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.19 149.57 36.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -1.03 . . . . 0.0 109.866 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -133.24 139.48 46.97 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 13.3 p30 -103.8 172.76 6.63 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.093 -1.005 . . . . 0.0 109.952 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.9 p90 -49.12 -45.62 43.83 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 109.482 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.6 tm0? -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.069 -1.02 . . . . 0.0 109.479 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 39.8 mt-10 -69.31 -40.09 77.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.092 -1.005 . . . . 0.0 109.828 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.47 -40.01 92.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.064 -1.022 . . . . 0.0 108.863 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.8 -30.38 69.79 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.852 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.7 68.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.128 -0.983 . . . . 0.0 109.741 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.02 -39.99 87.73 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.086 -1.009 . . . . 0.0 108.65 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -63.01 -46.49 96.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.298 -0.876 . . . . 0.0 108.853 179.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.06 -41.99 93.53 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.547 0.689 . . . . 0.0 109.15 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.39 -45.92 88.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.701 . . . . 0.0 110.316 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 t -79.47 -28.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.191 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.8 m -60.77 -39.96 90.71 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.976 -1.077 . . . . 0.0 108.533 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -65.34 -42.38 92.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.558 -0.714 . . . . 0.0 109.221 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.23 79.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.023 . . . . 0.0 108.985 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -63.73 -41.08 98.11 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.53 ' NE2' ' CE2' ' B' ' 14' ' ' PHE . 43.8 t-80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.625 -0.672 . . . . 0.0 109.721 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.186 -0.946 . . . . 0.0 108.92 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.301 -1.521 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.028 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.321 0.581 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.95 -35.98 74.91 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.354 -0.841 . . . . 0.0 108.916 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.415 HD21 ' SD ' ' B' ' 7' ' ' MET . 6.8 tt -68.68 -26.51 65.34 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.42 -0.8 . . . . 0.0 110.481 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE2' ' CD2' ' A' ' 43' ' ' PHE . 86.9 mt-10 -60.03 -49.09 79.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.021 -1.049 . . . . 0.0 110.438 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -70.01 -37.5 75.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.907 -1.121 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.44 92.05 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.918 . . . . 0.0 109.916 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.415 ' SD ' HD21 ' B' ' 3' ' ' LEU . 66.4 mtp -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.9 -1.125 . . . . 0.0 109.22 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -59.92 -40.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -65.0 -45.5 85.32 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 10' ' ' LEU . 86.9 mt -62.62 -40.05 95.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.094 -1.003 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.19 -42.27 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.107 -0.996 . . . . 0.0 109.723 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -69.37 -39.44 78.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.195 -0.94 . . . . 0.0 110.119 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.7 t -58.25 -35.96 55.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 85' ' ' HIS . 86.2 t80 -59.59 -50.03 75.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.466 -0.893 . . . . 0.0 108.653 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.663 -0.648 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.02 -46.49 89.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.973 -1.079 . . . . 0.0 111.485 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' B' ' 20' ' ' ARG . 98.9 m-85 -95.25 -26.19 16.05 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.81 -1.181 . . . . 0.0 111.1 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -65.05 -38.6 91.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.803 -1.186 . . . . 0.0 110.112 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.36 6.74 10.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 17' ' ' TYR . 18.7 mmt180 -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.072 -1.252 . . . . 0.0 109.897 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -135.93 161.0 36.85 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.379 -0.826 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -48.43 -26.22 4.93 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 97.4 m-20 -70.34 46.56 0.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -1.184 . . . . 0.0 109.514 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.4 ttpt -60.16 -29.55 68.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 110.292 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.0 -36.11 74.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.072 -1.018 . . . . 0.0 110.625 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 67.8 mmtt -125.51 147.78 49.12 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.265 -0.897 . . . . 0.0 109.659 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -97.54 128.76 44.54 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 29' ' ' LYS . 37.0 ttpt -100.45 154.49 18.49 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.264 -0.898 . . . . 0.0 108.95 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.7 ptpt -44.98 -35.16 2.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.256 -0.903 . . . . 0.0 109.917 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -64.6 -43.91 92.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.857 -1.152 . . . . 0.0 109.14 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -68.71 -39.95 80.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 108.896 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.53 -39.83 92.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.652 0.739 . . . . 0.0 109.018 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.96 -42.41 94.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.026 -1.046 . . . . 0.0 109.439 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -67.45 -38.95 85.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.0 108.967 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.799 -0.563 . . . . 0.0 110.733 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -77.58 -42.21 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.194 -0.941 . . . . 0.0 111.537 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 39.6 p30 -70.02 -22.53 63.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.307 -1.496 . . . . 0.0 110.716 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.38 -34.55 18.74 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.903 -1.123 . . . . 0.0 112.27 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -107.83 -29.99 8.77 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.66 -1.275 . . . . 0.0 111.633 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -97.79 13.59 29.93 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.864 -1.148 . . . . 0.0 108.691 -179.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 44.3 p -44.43 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 111.15 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.38 -22.22 26.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.213 -0.93 . . . . 0.0 110.376 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 79.4 m-85 -60.92 -39.19 88.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 0.0 109.552 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -141.56 -142.62 0.14 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' B' ' 40' ' ' LEU . 49.5 tp10 -60.12 133.71 56.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.741 -1.225 . . . . 0.0 109.528 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -99.01 119.48 37.85 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.84 118.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -128.25 -11.11 5.23 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -122.45 162.03 22.44 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.668 0.747 . . . . 0.0 110.324 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -77.95 -16.78 57.89 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.93 -45.64 88.33 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.563 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.77 -43.26 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 57' ' ' MET . 42.8 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 44.5 t0 -61.25 -47.68 84.93 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.362 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -68.34 -35.99 78.59 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.66 -32.92 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.437 -0.79 . . . . 0.0 109.375 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.6 mmm -70.47 -41.73 72.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.009 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.0 -30.6 70.38 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -70.0 -39.65 75.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.896 -0.503 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.43 -53.31 2.82 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.022 -1.049 . . . . 0.0 108.225 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.2 t0 -76.9 58.15 1.43 Allowed 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.74 4.91 0.96 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.9 m-20 -77.48 -29.55 52.7 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.44 86.25 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 53.8 p-10 -88.44 2.14 53.34 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.67 36.0 92.02 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -143.96 149.68 37.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -1.032 . . . . 0.0 109.921 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -133.3 139.28 46.8 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 13.9 p30 -103.67 172.82 6.59 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.155 -0.966 . . . . 0.0 109.98 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.8 p90 -49.19 -45.62 44.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.445 -0.784 . . . . 0.0 109.484 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 1.6 tm0? -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 109.417 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 39.9 mt-10 -69.24 -39.98 78.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.039 -1.038 . . . . 0.0 109.982 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.54 -40.0 93.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.045 -1.034 . . . . 0.0 108.863 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.55 -30.8 70.54 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.239 -0.985 . . . . 0.0 108.993 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.14 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.111 -0.993 . . . . 0.0 109.836 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -59.96 -40.21 88.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.11 -0.994 . . . . 0.0 108.527 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -62.85 -46.37 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 108.914 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -59.99 -42.2 93.7 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.583 0.706 . . . . 0.0 109.187 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 46.1 ttp -63.26 -46.44 86.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.549 -0.719 . . . . 0.0 110.337 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.1 -28.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.235 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -60.95 -40.04 91.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.533 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -65.34 -42.4 92.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.569 -0.707 . . . . 0.0 109.206 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.22 79.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.071 -1.018 . . . . 0.0 109.053 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.69 -41.1 98.19 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t-80 -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.588 -0.695 . . . . 0.0 109.631 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -39.92 87.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.116 -0.99 . . . . 0.0 108.941 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 C--N 1.3 -1.545 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.101 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.663 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.57 -42.5 74.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.957 -1.089 . . . . 0.0 110.699 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pt -79.56 -41.08 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 120.777 -1.202 . . . . 0.0 109.727 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.299 -1.626 0 O-C-N 121.096 -1.003 . . . . 0.0 109.21 -179.651 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.65 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.28 -42.58 75.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.937 -1.102 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pt -79.23 -42.46 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.803 -1.185 . . . . 0.0 109.624 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.0 -39.99 87.67 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.058 -1.026 . . . . 0.0 109.513 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.571 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.66 -39.0 90.9 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.874 . . . . 0.0 108.974 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.92 -24.82 64.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 110.835 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -50.1 75.08 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.695 -1.253 . . . . 0.0 110.461 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -38.46 76.11 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.875 -1.141 . . . . 0.0 109.407 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.96 87.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.881 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.96 -40.13 87.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.888 -1.133 . . . . 0.0 108.767 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.33 -40.24 83.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.83 87.33 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.18 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.3 -40.08 92.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.041 -1.037 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -68.55 -42.87 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.148 -0.97 . . . . 0.0 110.016 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.45 -39.99 73.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.873 -1.142 . . . . 0.0 109.4 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -58.59 -34.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.97 -48.93 79.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.839 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -78.75 -23.53 45.33 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.135 -0.978 . . . . 0.0 111.211 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.01 -45.46 92.67 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.006 -1.059 . . . . 0.0 111.523 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 35' ' ' LEU . 42.7 p90 -105.07 -30.36 9.81 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 120.884 -1.135 . . . . 0.0 111.313 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.917 -1.115 . . . . 0.0 110.554 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.44 58.75 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 20' ' ' ARG . 4.9 ptm180 -65.92 -40.04 91.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.611 -1.523 . . . . 0.0 109.462 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.65 165.65 20.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.181 -0.949 . . . . 0.0 109.604 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.34 -157.45 53.47 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 26' ' ' LYS . 56.3 t0 -81.29 121.23 25.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.331 -1.099 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -62.78 -29.35 70.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.369 -0.832 . . . . 0.0 109.498 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -72.62 -19.98 61.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.901 . . . . 0.0 110.663 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 23' ' ' ASP . 62.9 mttp -129.32 155.51 45.5 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.2 -0.938 . . . . 0.0 109.621 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.02 131.3 56.48 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 0.0 109.826 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLU . 64.8 tttm -98.17 150.94 20.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 108.654 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 12.5 ptpt -40.84 -38.41 0.93 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.398 -0.814 . . . . 0.0 109.927 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -64.94 -42.08 94.95 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' LYS . 89.3 mt-10 -69.94 -40.0 75.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.087 -1.008 . . . . 0.0 109.1 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.07 -39.0 93.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.85 . . . . 0.0 109.47 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.34 -39.98 80.9 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 54.0 tp10 -63.11 -41.39 99.34 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.03 -48.48 81.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.811 . . . . 0.0 109.328 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.36 -42.3 81.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.352 -0.842 . . . . 0.0 110.773 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -84.4 -23.33 30.1 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.943 -1.098 . . . . 0.0 111.84 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -88.17 -33.98 17.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.393 -1.442 . . . . 0.0 111.265 -177.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 40' ' ' LEU . 63.6 mm-40 -92.83 -14.9 27.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.271 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -162.4 75.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.772 -1.205 . . . . 0.0 110.417 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.15 -70.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.738 -1.226 . . . . 0.0 109.686 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -87.87 -33.21 18.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.175 -0.953 . . . . 0.0 111.18 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.09 -40.0 88.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.931 -1.106 . . . . 0.0 109.241 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 40' ' ' LEU . 17.9 tp -159.97 141.76 12.91 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 51.19 92.44 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.554 -0.859 . . . . 0.0 111.269 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -94.52 136.09 35.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -115.05 114.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.57 -14.13 7.83 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -124.43 156.51 37.05 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.581 0.705 . . . . 0.0 110.324 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.502 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -79.99 -13.91 58.98 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.08 -40.53 94.79 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.3 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -45.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 57' ' ' MET . 9.3 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.054 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 52.2 m-20 -61.9 -43.85 97.99 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.227 -1.389 . . . . 0.0 110.075 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.83 -1.148 . . . . 0.0 109.121 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.6 -38.43 67.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 122.038 0.923 . . . . 0.0 108.564 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' ASP . 13.3 tpt -70.56 -40.79 73.15 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.29 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -64.18 -39.79 94.75 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.457 0.646 . . . . 0.0 109.657 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 72' ' ' GLU . 10.0 mp -97.88 -47.73 5.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 0.0 109.256 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.2 t0 -74.72 51.2 0.47 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -66.53 -0.06 2.55 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.1 m-20 -77.34 -34.15 55.3 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.62 83.42 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.942 -2.463 . . . . 0.0 106.942 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.1 p-10 -85.09 1.69 46.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.03 30.61 74.14 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -145.89 159.69 42.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -1.102 . . . . 0.0 110.453 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.98 122.25 25.24 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.21 168.15 19.44 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.493 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -56.08 -40.03 73.0 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 108.73 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.13 -40.43 95.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.066 -1.021 . . . . 0.0 109.396 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 80.4 mt-10 -69.99 -40.91 75.04 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.01 -1.056 . . . . 0.0 109.319 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE2' ' OH ' ' A' ' 17' ' ' TYR . 2.6 t80 -63.93 -37.33 87.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.98 -33.38 71.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -27.84 66.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.241 -0.912 . . . . 0.0 110.03 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' A' ' 80' ' ' VAL . 58.0 t80 -59.98 -42.66 94.64 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.756 -1.215 . . . . 0.0 108.522 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -45.1 97.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -61.58 -40.45 94.8 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.041 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.7 ttp -66.37 -45.32 80.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.124 -0.985 . . . . 0.0 109.424 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 61.3 t -70.47 -36.67 67.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.662 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -62.38 -40.0 95.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.229 -0.919 . . . . 0.0 109.257 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -40.02 71.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.76 74.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.0 110.392 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 88.6 m -61.9 -48.55 79.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 108.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.75 -39.91 90.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.678 0.751 . . . . 0.0 109.153 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.79 -39.69 85.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.64 -0.662 . . . . 0.0 109.867 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.299 -1.613 0 O-C-N 121.058 -1.026 . . . . 0.0 109.832 -179.573 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.74 -39.18 90.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 108.967 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.03 -24.72 64.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.01 -50.07 75.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.607 -1.308 . . . . 0.0 110.56 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.05 75.68 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.828 -1.17 . . . . 0.0 109.391 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 110.009 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.0 tpp -59.98 -40.28 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.952 -1.092 . . . . 0.0 108.744 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.29 -40.04 82.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.53 86.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.56 -40.08 93.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.68 -42.63 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.116 -0.99 . . . . 0.0 110.006 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.55 -39.87 73.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.905 -1.122 . . . . 0.0 109.38 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.77 -34.59 52.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.61 -49.08 79.13 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.297 -0.877 . . . . 0.0 109.826 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.74 -23.47 45.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.085 -1.009 . . . . 0.0 111.318 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -45.48 92.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.0 -1.062 . . . . 0.0 111.546 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.461 ' CD2' HD23 ' B' ' 35' ' ' LEU . 43.0 p90 -104.93 -30.25 9.95 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 120.87 -1.143 . . . . 0.0 111.345 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.901 -1.124 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.38 11.98 59.76 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.416 ' HG3' HH11 ' B' ' 20' ' ' ARG . 4.8 ptm180 -65.51 -40.17 92.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.708 -1.466 . . . . 0.0 109.537 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.77 165.63 20.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.181 -0.949 . . . . 0.0 109.462 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.55 -157.21 53.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 26' ' ' LYS . 56.4 t0 -81.6 121.04 25.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.388 -1.066 . . . . 0.0 109.572 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.81 -29.21 70.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.819 . . . . 0.0 109.467 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -72.63 -20.01 61.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.336 -0.852 . . . . 0.0 110.631 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 23' ' ' ASP . 63.3 mttp -129.4 156.02 44.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.22 -0.925 . . . . 0.0 109.736 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -118.43 131.17 56.28 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.609 -0.682 . . . . 0.0 109.874 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' B' ' 29' ' ' LYS . 63.8 tttm -97.85 151.07 20.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 108.674 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ptpt -40.96 -38.53 0.99 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.396 -0.815 . . . . 0.0 109.878 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.8 p -64.77 -42.14 95.34 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.198 -0.939 . . . . 0.0 109.839 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 28' ' ' LYS . 89.3 mt-10 -69.92 -39.94 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.038 -1.039 . . . . 0.0 109.083 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.48 -38.24 90.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.32 -0.862 . . . . 0.0 109.481 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.74 -40.01 82.59 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 38' ' ' ASN . 54.0 tp10 -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -59.94 -48.86 79.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.447 -0.783 . . . . 0.0 109.174 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.0 110.856 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -84.32 -23.21 30.35 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.964 -1.085 . . . . 0.0 111.943 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -88.1 -34.01 18.06 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.376 -1.453 . . . . 0.0 111.176 -177.727 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.437 ' C ' HD23 ' B' ' 40' ' ' LEU . 63.4 mm-40 -92.86 -14.96 27.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.706 -1.246 . . . . 0.0 110.295 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.753 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -162.12 75.24 0.45 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.728 -1.233 . . . . 0.0 110.474 179.66 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.9 -70.31 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.779 -1.201 . . . . 0.0 109.739 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -88.02 -33.09 18.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.956 . . . . 0.0 111.21 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -60.01 -40.01 87.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.972 -1.08 . . . . 0.0 109.199 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.3 tp -160.12 141.9 12.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.08 92.26 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.315 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.33 136.51 34.54 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mm -115.39 114.89 47.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.64 -14.2 7.8 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -124.57 156.49 37.3 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.564 0.697 . . . . 0.0 110.289 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -79.98 -13.99 58.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.06 -40.78 95.22 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 118.825 -1.15 . . . . 0.0 110.198 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.58 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.6 t -59.99 -49.3 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.083 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 52.9 m-20 -61.97 -43.83 98.03 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.099 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -69.93 -40.01 75.79 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.78 -1.168 . . . . 0.0 109.136 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.38 -38.51 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.9 tpt -70.6 -40.75 73.01 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.17 -32.17 73.64 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.742 -1.206 . . . . 0.0 107.742 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.3 m -63.93 -39.9 95.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.671 -0.643 . . . . 0.0 109.519 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 72' ' ' GLU . 9.8 mp -97.78 -47.64 5.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.424 -0.798 . . . . 0.0 109.265 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -74.83 51.37 0.49 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.51 -0.56 2.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -77.03 -33.99 57.33 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 10.83 83.48 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.089 -2.404 . . . . 0.0 107.089 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.9 p-10 -85.11 1.67 46.82 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.92 30.9 74.55 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.1 mt-10 -146.12 159.48 43.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.46 -1.024 . . . . 0.0 110.504 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.83 122.07 25.14 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -80.47 167.7 19.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.233 -0.917 . . . . 0.0 109.333 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 3.5 p90 -55.37 -40.34 71.19 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.001 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.28 -40.14 95.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.891 -1.131 . . . . 0.0 109.428 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.486 ' O ' HD23 ' B' ' 60' ' ' LEU . 79.8 mt-10 -69.92 -41.01 75.19 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CE2' ' OH ' ' B' ' 17' ' ' TYR . 2.6 t80 -64.09 -37.31 86.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.81 -33.73 72.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -27.93 66.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.139 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' B' ' 80' ' ' VAL . 58.6 t80 -60.09 -42.69 95.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.188 . . . . 0.0 108.476 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.53 -44.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.8 m -62.03 -40.4 95.6 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.986 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.2 ttp -66.19 -45.4 80.96 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' B' ' 76' ' ' PHE . 59.4 t -70.46 -36.59 67.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.689 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -62.53 -40.03 95.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.101 -0.999 . . . . 0.0 109.212 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.7 p -71.05 -39.99 71.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.52 -0.737 . . . . 0.0 110.33 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.91 -43.77 74.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.354 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.84 -48.83 78.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.48 -40.0 89.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.656 0.741 . . . . 0.0 109.206 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.88 -39.62 85.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.621 -0.675 . . . . 0.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--N 1.3 -1.574 0 O-C-N 121.004 -1.06 . . . . 0.0 109.81 -179.669 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.622 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.021 0.439 . . . . 0.0 110.21 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.622 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 63.8 tttp -60.03 -45.79 91.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.057 -1.027 . . . . 0.0 110.223 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.96 -40.01 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.217 -0.927 . . . . 0.0 111.131 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 120.98 -1.075 . . . . 0.0 109.204 -178.418 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.62 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 120.961 0.41 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.62 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -60.11 -45.69 92.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.068 -1.02 . . . . 0.0 110.192 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -70.04 -40.1 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 111.027 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.86 -39.96 86.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.821 -1.175 . . . . 0.0 109.433 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.437 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -67.75 -39.96 84.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.428 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.01 -30.45 69.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.824 -1.173 . . . . 0.0 109.871 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 97.3 mt-10 -59.91 -48.94 79.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.009 -1.057 . . . . 0.0 110.468 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.92 68.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.794 -1.191 . . . . 0.0 108.975 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.02 90.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -0.865 . . . . 0.0 109.357 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.06 -40.84 90.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.132 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.98 -40.07 81.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-O 121.795 0.807 . . . . 0.0 108.902 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.55 88.76 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.658 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.49 -40.0 92.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.863 -1.148 . . . . 0.0 109.895 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.14 -41.66 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.022 -1.048 . . . . 0.0 110.365 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -64.94 -42.96 94.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.589 -1.319 . . . . 0.0 109.619 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.19 -29.65 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.41 -0.806 . . . . 0.0 108.975 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.15 -48.32 82.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.403 -0.81 . . . . 0.0 109.79 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 27.0 m-70 -77.44 -25.16 50.38 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -0.928 . . . . 0.0 111.441 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.99 -40.33 88.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.716 -1.24 . . . . 0.0 111.812 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 90.4 m-85 -107.74 -31.02 8.23 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.909 -1.119 . . . . 0.0 111.132 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -64.08 -40.0 95.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.907 -1.121 . . . . 0.0 109.987 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 1.63 88.36 Favored Glycine 0 N--CA 1.492 2.417 0 C-N-CA 120.262 -0.971 . . . . 0.0 110.74 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -66.37 -39.87 89.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.745 -1.444 . . . . 0.0 109.178 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' GLY . 99.7 mt-10 -128.38 174.14 9.58 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -57.19 -157.42 0.01 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 93.9 m-20 51.05 46.96 25.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.763 -1.434 . . . . 0.0 108.628 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -61.07 -32.94 72.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.4 -34.96 73.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 110.821 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 96.1 mttt -128.21 153.8 46.53 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.121 -0.987 . . . . 0.0 110.479 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.21 117.79 32.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.126 -0.984 . . . . 0.0 109.131 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.9 ttmm -82.38 155.28 24.8 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 8.3 mtmp? -42.77 -39.48 2.48 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.215 -0.928 . . . . 0.0 110.012 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -60.09 -43.45 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.915 . . . . 0.0 110.576 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.05 -40.05 75.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.733 -1.229 . . . . 0.0 108.725 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -39.68 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.53 -42.3 91.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.265 -0.897 . . . . 0.0 109.026 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -67.99 -39.8 83.2 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -50.96 71.94 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.631 -0.668 . . . . 0.0 109.911 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.02 -42.32 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.001 -1.062 . . . . 0.0 110.018 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -70.68 -26.11 63.29 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.379 -1.451 . . . . 0.0 110.958 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.549 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -87.85 -34.09 18.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.805 -1.185 . . . . 0.0 112.003 -177.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' B' ' 4' ' ' GLU . 97.2 mt-10 -106.94 -32.85 7.71 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.859 -1.15 . . . . 0.0 111.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -99.99 19.38 16.35 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 96.7 p -44.08 -97.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 111.355 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' N ' ' OG ' ' A' ' 41' ' ' SER . 79.0 t60 -84.95 -21.87 29.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.918 . . . . 0.0 110.06 -178.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.89 -37.56 79.74 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.15 -0.968 . . . . 0.0 108.608 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mt -142.05 -158.42 0.86 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.206 -0.934 . . . . 0.0 109.28 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.66 135.17 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.134 -0.979 . . . . 0.0 110.613 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 53.1 tp10 -98.81 122.74 42.44 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 52' ' ' VAL . 49.7 mm -91.05 110.01 21.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-O 121.822 0.82 . . . . 0.0 110.532 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -119.81 -12.05 9.27 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.61 145.16 48.61 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.592 0.71 . . . . 0.0 110.675 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -69.96 -22.11 63.19 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.3 pt-20 -59.97 -43.01 95.37 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.954 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 47' ' ' ILE . 43.8 t -60.01 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.69 -41.17 89.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.501 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.99 -41.31 74.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.654 -1.219 . . . . 0.0 109.075 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -69.96 -38.33 76.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.57 -31.5 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -70.07 -42.43 72.82 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 86.1 tt0 -60.03 -34.08 72.89 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' SD ' ' A' ' 79' ' ' MET . 94.3 m -70.15 -39.88 75.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.788 -0.57 . . . . 0.0 111.019 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.94 -52.85 2.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.6 t0 -80.72 59.7 3.74 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 45.1 mm-40 -66.05 4.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.636 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.4 m-20 -79.37 -29.84 42.29 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 105.893 -1.891 . . . . 0.0 105.893 177.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.4 11.92 81.3 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -88.11 0.01 56.53 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.93 30.13 72.38 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 108.149 -1.98 . . . . 0.0 108.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.8 mt-10 -143.43 157.11 44.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.548 -0.972 . . . . 0.0 110.291 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -130.06 122.1 27.71 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.89 167.74 20.14 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.362 -0.837 . . . . 0.0 109.255 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 28.5 p90 -55.79 -40.07 72.17 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 108.826 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.292 -0.88 . . . . 0.0 109.183 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -69.72 -38.36 76.85 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 110.414 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.24 -41.02 87.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.869 -1.144 . . . . 0.0 109.377 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.0 tpp -64.17 -31.62 72.88 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.968 -1.082 . . . . 0.0 108.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.44 -30.53 70.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.123 -0.986 . . . . 0.0 109.985 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.0 t80 -59.82 -40.08 87.21 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 108.856 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.63 -40.91 88.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.237 -0.915 . . . . 0.0 108.54 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -60.49 -46.46 90.03 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.477 0.656 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.401 ' SD ' HG21 ' A' ' 59' ' ' THR . 61.9 ttp -65.46 -42.24 92.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.827 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.5 t -80.0 -29.05 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.757 -1.214 . . . . 0.0 108.901 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.3 m -60.64 -40.04 90.52 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.095 -1.003 . . . . 0.0 108.921 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 p -71.16 -42.38 69.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.542 -0.723 . . . . 0.0 110.947 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.99 75.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.918 -1.114 . . . . 0.0 110.284 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.06 -42.8 99.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' NE2' ' B' ' 15' ' ' HIS . 8.5 t60 -69.94 -39.86 75.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.79 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -74.19 -5.49 42.18 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.432 -0.793 . . . . 0.0 110.527 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.651 -1.28 . . . . 0.0 110.892 -178.306 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -67.76 -40.1 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.91 -30.55 69.11 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.826 -1.172 . . . . 0.0 109.918 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 97.1 mt-10 -59.95 -48.81 80.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.981 -1.075 . . . . 0.0 110.496 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -31.08 68.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.743 -1.223 . . . . 0.0 108.908 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.96 90.81 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.368 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.3 tpp -59.97 -40.89 90.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.23 -39.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.775 0.798 . . . . 0.0 108.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -67.05 -40.08 87.06 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.691 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.75 -40.07 91.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.899 -1.126 . . . . 0.0 109.882 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.11 -41.5 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -65.07 -42.45 94.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.585 -1.322 . . . . 0.0 109.801 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 9' ' ' ALA . 76.5 t -59.63 -29.84 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 108.928 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -58.75 -48.52 80.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.422 -0.799 . . . . 0.0 109.834 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.408 ' NE2' ' CE1' ' A' ' 85' ' ' HIS . 24.6 m-70 -77.39 -25.22 50.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.207 -0.933 . . . . 0.0 111.441 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.01 -40.49 89.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.662 -1.274 . . . . 0.0 111.785 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -107.64 -30.72 8.43 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.856 -1.152 . . . . 0.0 111.041 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -64.16 -40.07 95.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.817 -1.177 . . . . 0.0 110.053 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.25 1.52 88.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -66.32 -39.94 89.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.759 -1.436 . . . . 0.0 109.197 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 22' ' ' GLY . 99.6 mt-10 -128.36 173.95 9.74 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.505 -0.747 . . . . 0.0 108.989 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -57.06 -157.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' B' ' 26' ' ' LYS . 93.8 m-20 51.12 46.81 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.76 -1.435 . . . . 0.0 108.576 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.04 -32.94 72.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.868 . . . . 0.0 110.338 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.32 -35.0 73.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 110.752 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' B' ' 23' ' ' ASP . 93.8 mttt -128.43 153.88 46.64 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.151 -0.968 . . . . 0.0 110.487 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.16 117.98 32.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.165 -0.959 . . . . 0.0 109.108 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' B' ' 29' ' ' LYS . 18.9 ttmm -82.5 155.49 24.54 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.462 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 8.2 mtmp? -42.86 -39.64 2.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.25 -0.906 . . . . 0.0 109.962 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.07 -43.29 95.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.06 -40.08 75.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.75 -1.219 . . . . 0.0 108.673 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -39.88 91.45 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.39 -42.42 91.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.915 . . . . 0.0 108.894 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.82 -39.98 83.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.09 -51.13 71.38 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.607 -0.683 . . . . 0.0 109.952 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.02 -42.42 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.94 -1.1 . . . . 0.0 109.97 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.62 -26.02 63.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.374 -1.454 . . . . 0.0 110.885 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.566 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -87.84 -34.37 18.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.873 -1.142 . . . . 0.0 111.966 -177.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 4' ' ' GLU . 97.1 mt-10 -107.07 -32.54 7.8 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.758 -1.214 . . . . 0.0 111.179 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -100.06 19.2 16.75 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.955 -1.091 . . . . 0.0 108.098 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.1 p -44.06 -97.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.466 -0.771 . . . . 0.0 111.46 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.515 ' N ' ' OG ' ' B' ' 41' ' ' SER . 78.4 t60 -85.18 -21.75 29.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.216 -0.928 . . . . 0.0 110.037 -178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 108.508 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -141.85 -158.74 0.89 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.186 -0.946 . . . . 0.0 109.246 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.49 135.07 2.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.97 . . . . 0.0 110.657 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.491 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . 53.4 tp10 -98.77 122.87 42.56 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 177.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.532 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -91.06 109.87 21.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-O 121.898 0.856 . . . . 0.0 110.503 -177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -119.68 -12.22 9.29 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -122.54 145.37 48.39 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.668 0.747 . . . . 0.0 110.657 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.02 -22.07 63.14 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.5 pt-20 -60.17 -42.79 95.72 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.847 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' B' ' 47' ' ' ILE . 49.4 t -60.11 -47.6 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.15 -40.81 88.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.454 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.01 -41.28 74.55 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.564 -1.254 . . . . 0.0 109.068 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.11 -38.26 75.57 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -70.79 -31.38 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.0 OUTLIER -70.03 -42.33 73.1 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.2 tt0 -60.11 -34.04 72.94 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.15 -39.78 75.15 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.234 0.54 . . . . 0.0 111.076 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.05 -52.97 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 109.177 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 24.5 t0 -80.72 59.96 3.84 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 44.6 mm-40 -66.29 4.34 0.74 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.509 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.5 m-20 -79.25 -30.1 42.98 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.68 11.79 81.13 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -88.06 0.01 56.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.8 30.42 72.58 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 108.222 -1.951 . . . . 0.0 108.222 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.8 mt-10 -143.58 156.98 44.75 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.488 -1.007 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.99 121.78 27.19 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.7 168.04 19.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.402 -0.811 . . . . 0.0 109.19 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 28.5 p90 -56.26 -40.0 73.51 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.245 -0.909 . . . . 0.0 108.804 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.598 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.8 tt0 -62.85 -40.11 96.45 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.315 -0.865 . . . . 0.0 108.925 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -69.95 -38.21 76.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.26 -0.9 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.42 87.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.844 -1.16 . . . . 0.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 55.7 tpp -64.35 -31.96 73.38 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.935 -1.103 . . . . 0.0 108.773 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.42 -30.22 69.92 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.094 -1.004 . . . . 0.0 109.904 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 80' ' ' VAL . 65.4 t80 -59.96 -39.99 87.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 108.797 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.463 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -61.69 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.209 -0.932 . . . . 0.0 108.599 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -60.66 -46.34 90.69 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.443 0.64 . . . . 0.0 110.034 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.76 -42.0 91.43 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.742 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 76' ' ' PHE . 20.8 t -79.97 -29.39 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.967 -1.083 . . . . 0.0 108.744 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.1 m -60.56 -40.0 90.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.069 -1.019 . . . . 0.0 108.978 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -42.34 68.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.511 -0.743 . . . . 0.0 110.973 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.77 76.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 110.334 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -42.81 99.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 15' ' ' HIS . 8.2 t60 -69.84 -39.98 76.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.544 -0.723 . . . . 0.0 109.8 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -74.06 -5.76 43.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.483 -0.761 . . . . 0.0 110.502 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.495 1.813 0 O-C-N 120.645 -1.284 . . . . 0.0 110.964 -178.284 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.34 -39.85 88.59 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 109.34 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.1 -40.35 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.707 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.302 -1.48 0 O-C-N 121.229 -0.919 . . . . 0.0 108.949 -179.11 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -39.94 89.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.293 -0.88 . . . . 0.0 109.223 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.97 -40.72 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.258 -0.901 . . . . 0.0 109.776 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.88 -39.71 86.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.277 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.346 179.779 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.362 0.601 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.99 -31.38 70.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.316 -0.865 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.62 -24.74 35.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.078 -1.014 . . . . 0.0 110.987 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 98.8 mt-10 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.767 -1.208 . . . . 0.0 110.912 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 10.6 pttp -68.48 -41.61 79.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.632 -1.292 . . . . 0.0 109.055 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 5' ' ' LYS . . . -70.31 -42.02 72.53 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.918 -0.488 . . . . 0.0 111.238 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.97 -41.64 92.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.738 -1.226 . . . . 0.0 108.332 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' GLU . 70.2 t -63.54 -40.04 87.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.02 91.53 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.2 -39.95 88.34 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.037 -1.039 . . . . 0.0 108.678 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.17 -40.01 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.36 -0.838 . . . . 0.0 109.11 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -70.08 -40.35 75.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.866 -1.146 . . . . 0.0 109.166 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.592 HG13 ' OE2' ' A' ' 39' ' ' GLU . 42.3 t -60.02 -39.71 81.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -49.05 -57.83 5.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.505 -0.747 . . . . 0.0 110.073 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.49 -22.75 58.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.209 -0.932 . . . . 0.0 111.33 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -55.64 -40.2 71.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.211 -0.93 . . . . 0.0 111.095 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -119.8 -24.16 6.24 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 121.129 -0.982 . . . . 0.0 110.722 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 m -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.826 -1.171 . . . . 0.0 110.308 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.99 1.91 37.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 20' ' ' ARG . 38.0 ttt-85 -60.05 -46.81 88.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -1.172 . . . . 0.0 109.622 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -167.13 172.08 10.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.383 -0.823 . . . . 0.0 108.892 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.11 -160.71 27.37 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.912 -1.117 . . . . 0.0 110.676 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 94.7 m-20 -90.27 0.88 57.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.6 -0.941 . . . . 0.0 110.467 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 4.4 tmtt? 80.3 -47.02 0.3 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.656 0.741 . . . . 0.0 109.345 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -72.51 -17.1 61.77 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.478 -0.764 . . . . 0.0 110.242 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -128.57 152.33 48.43 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.375 -0.828 . . . . 0.0 109.728 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.43 120.03 40.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.601 -0.687 . . . . 0.0 109.379 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -85.72 151.06 24.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.224 -0.922 . . . . 0.0 108.612 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.53 -39.96 8.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.459 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -39.95 87.7 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.097 -1.002 . . . . 0.0 109.265 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.037 -1.039 . . . . 0.0 109.101 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.32 -39.77 91.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.378 -0.826 . . . . 0.0 109.015 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -54.72 -40.04 68.82 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 108.631 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.97 -40.01 79.1 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.513 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.71 -50.0 75.52 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.898 . . . . 0.0 109.596 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.8 -45.7 80.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.393 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.13 -23.15 59.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.241 -1.537 . . . . 0.0 110.892 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.79 -32.94 20.07 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.616 -1.302 . . . . 0.0 110.611 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HG13 ' A' ' 13' ' ' VAL . 99.5 mt-10 -105.93 -27.89 10.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.667 -1.271 . . . . 0.0 109.628 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 44' ' ' LEU . 28.3 mt -116.76 35.6 4.53 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 77.3 p -44.08 -91.99 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.291 -0.88 . . . . 0.0 110.175 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.436 ' N ' ' OG ' ' A' ' 41' ' ' SER . 95.2 m-70 -103.93 3.29 33.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.466 -0.771 . . . . 0.0 109.478 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.736 ' C ' HD12 ' A' ' 44' ' ' LEU . 88.4 m-85 -69.13 -40.0 78.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.224 -0.923 . . . . 0.0 109.485 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 43' ' ' PHE . 8.6 mp -129.05 -98.79 0.35 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.413 -0.804 . . . . 0.0 109.36 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -91.28 133.07 35.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 109.734 -179.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 86.6 tt0 -92.54 119.67 32.24 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.18 118.48 44.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-O 122.064 0.935 . . . . 0.0 110.256 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.51 -9.79 1.9 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.31 151.99 43.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.701 . . . . 0.0 110.001 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASP . 18.0 pt20 -72.78 -18.83 61.45 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 110.754 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 16.1 t -68.25 -49.15 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.5 t -61.66 -41.47 90.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.265 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' GLN . 91.4 m-20 -70.0 -42.26 73.27 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.062 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -68.52 -39.23 81.29 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.05 -34.2 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 60.2 mmm -72.15 -40.01 68.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 109.199 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.01 -27.26 66.73 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' HD12 ' A' ' 60' ' ' LEU . 9.9 m -69.95 -38.89 76.28 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD11 ' SD ' ' A' ' 79' ' ' MET . 10.2 mp -105.31 -54.79 2.43 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.106 -0.996 . . . . 0.0 108.589 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.5 t0 -70.04 55.58 0.14 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -67.24 2.14 1.77 Allowed 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.0 m-20 -79.78 -31.7 40.86 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.99 10.23 84.23 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.346 -2.302 . . . . 0.0 107.346 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.9 p-10 -83.57 0.27 47.37 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.76 32.56 78.2 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -143.99 155.61 44.09 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.362 -1.081 . . . . 0.0 110.78 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.7 122.52 29.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.11 169.88 12.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.885 -1.134 . . . . 0.0 110.217 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 4.6 m-85 -48.16 -48.56 34.27 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.517 -0.74 . . . . 0.0 109.462 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.97 -40.98 90.95 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.37 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 60' ' ' LEU . 47.5 mt-10 -66.07 -41.33 90.87 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.695 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 1.7 t80 -63.67 -39.37 94.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.719 -1.238 . . . . 0.0 107.687 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.1 mmm -60.05 -38.48 82.93 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.71 71.72 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.954 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 80' ' ' VAL . 64.9 t80 -59.99 -43.34 95.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.033 -1.042 . . . . 0.0 109.36 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -59.98 -41.1 85.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -60.05 -40.43 89.38 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.718 -0.614 . . . . 0.0 109.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 60' ' ' LEU . 41.3 mtp -66.44 -44.6 82.42 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.699 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 76' ' ' PHE . 1.7 t -80.67 -30.05 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.08 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -65.69 -40.0 91.84 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -69.99 -39.96 75.59 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.8 79.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.427 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.67 -40.0 76.66 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 108.878 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.98 -40.5 89.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.407 -0.808 . . . . 0.0 109.882 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.78 -40.01 90.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 110.002 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.301 -1.518 0 O-C-N 120.966 -1.084 . . . . 0.0 109.015 179.716 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.421 0.629 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -68.69 -31.31 70.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.325 -0.86 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.71 -24.7 36.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.038 -1.039 . . . . 0.0 110.941 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 98.9 mt-10 -59.98 -47.93 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.749 -1.219 . . . . 0.0 110.862 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' B' ' 6' ' ' ALA . 11.3 pttp -68.56 -41.59 79.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.584 -1.322 . . . . 0.0 109.123 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' B' ' 5' ' ' LYS . . . -70.37 -42.02 72.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.891 -0.506 . . . . 0.0 111.158 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.729 -1.232 . . . . 0.0 108.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.6 t -63.72 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.65 93.46 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.843 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.18 -40.02 88.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.961 -1.087 . . . . 0.0 108.672 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.11 -39.97 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.87 . . . . 0.0 109.109 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.853 -1.154 . . . . 0.0 109.161 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.584 HG13 ' OE2' ' B' ' 39' ' ' GLU . 41.2 t -59.97 -39.51 80.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -49.16 -57.77 6.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.553 -0.717 . . . . 0.0 110.143 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -74.55 -22.77 58.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.182 -0.949 . . . . 0.0 111.441 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -55.4 -40.45 71.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.92 . . . . 0.0 111.128 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -119.65 -24.32 6.26 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.077 -1.014 . . . . 0.0 110.732 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.8 m -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.838 -1.164 . . . . 0.0 110.331 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 1.78 37.14 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.5 ttt-85 -60.01 -46.78 88.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.236 -1.155 . . . . 0.0 109.701 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -167.21 172.04 10.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.397 -0.814 . . . . 0.0 108.889 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.05 -160.6 27.35 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.907 -1.121 . . . . 0.0 110.636 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 94.9 m-20 -90.37 0.99 57.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.63 -0.924 . . . . 0.0 110.525 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 4.2 tmtt? 80.27 -47.13 0.31 Allowed 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.634 0.731 . . . . 0.0 109.325 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -72.45 -17.38 61.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.592 -0.692 . . . . 0.0 110.241 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -128.59 152.66 48.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.346 -0.846 . . . . 0.0 109.8 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -112.24 120.1 40.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.685 -0.635 . . . . 0.0 109.452 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -86.14 150.99 24.03 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.26 -0.9 . . . . 0.0 108.664 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.48 -39.88 7.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.132 -0.98 . . . . 0.0 109.523 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.6 m -60.02 -40.0 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.075 -1.015 . . . . 0.0 109.183 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.06 -39.96 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 109.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.12 -39.94 91.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -54.78 -39.96 68.95 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 108.626 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.95 -40.02 79.17 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.274 -0.97 . . . . 0.0 108.541 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.79 -50.05 75.38 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.28 -0.888 . . . . 0.0 109.57 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -68.78 -45.5 80.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.4 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.0 t-20 -74.33 -23.18 59.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.276 -1.515 . . . . 0.0 110.952 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.587 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.3 OUTLIER -86.77 -32.91 20.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.632 -1.293 . . . . 0.0 110.577 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.584 ' OE2' HG13 ' B' ' 13' ' ' VAL . 99.8 mt-10 -105.81 -28.16 10.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.755 -1.216 . . . . 0.0 109.648 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.543 HD22 HD13 ' B' ' 44' ' ' LEU . 27.4 mt -116.62 35.82 4.41 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 77.2 p -44.15 -91.81 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.273 -0.892 . . . . 0.0 110.213 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.433 ' N ' ' OG ' ' B' ' 41' ' ' SER . 95.4 m-70 -104.0 3.21 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.432 -0.793 . . . . 0.0 109.435 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.727 ' C ' HD12 ' B' ' 44' ' ' LEU . 89.3 m-85 -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 109.497 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.727 HD12 ' C ' ' B' ' 43' ' ' PHE . 8.4 mp -129.01 -98.78 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -91.22 132.91 35.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.56 -0.712 . . . . 0.0 109.772 -179.015 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -92.33 119.66 32.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.26 118.48 44.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 122.046 0.927 . . . . 0.0 110.187 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.493 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.38 -9.8 1.94 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.503 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -124.32 152.01 43.61 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.548 -0.72 . . . . 0.0 109.959 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' B' ' 54' ' ' ASP . 18.0 pt20 -72.8 -18.77 61.44 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.726 -0.609 . . . . 0.0 110.68 -177.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' B' ' 51' ' ' GLU . 16.2 t -68.55 -48.81 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.04 -41.42 91.02 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.232 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 91.4 m-20 -70.02 -42.34 73.1 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.979 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -68.37 -39.3 81.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.98 -34.31 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.3 mmm -71.99 -40.08 68.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.0 109.211 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -27.25 66.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.47 -1.394 . . . . 0.0 107.253 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.436 ' C ' HD12 ' B' ' 60' ' ' LEU . 10.0 m -70.04 -38.77 75.93 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.965 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.587 HD11 ' SD ' ' B' ' 79' ' ' MET . 10.1 mp -105.43 -54.84 2.42 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.164 -0.96 . . . . 0.0 108.593 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.9 t0 -70.06 55.69 0.14 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.0 mt-10 -67.46 2.46 1.74 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.7 m-20 -79.85 -31.7 40.5 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.8 10.25 84.41 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.1 p-10 -83.5 0.26 47.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.72 32.6 78.45 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.6 mt-10 -143.94 155.6 44.11 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.329 -1.101 . . . . 0.0 110.77 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -129.52 122.42 29.2 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.15 169.31 12.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.85 -1.156 . . . . 0.0 110.26 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 4.6 m-85 -47.57 -48.7 27.85 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.571 -0.705 . . . . 0.0 109.518 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.553 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -60.01 -40.72 90.22 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.373 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 60' ' ' LEU . 47.3 mt-10 -66.37 -41.31 89.61 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.576 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 1.6 t80 -63.52 -39.43 94.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.721 -1.237 . . . . 0.0 107.755 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.5 mmm -60.07 -38.64 83.45 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.86 71.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.0 -1.063 . . . . 0.0 110.006 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' B' ' 80' ' ' VAL . 64.9 t80 -60.06 -43.03 95.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.357 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.7 OUTLIER -60.0 -41.48 86.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.9 t -60.13 -40.2 88.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.754 -0.592 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.587 ' SD ' HD11 ' B' ' 60' ' ' LEU . 37.8 mtp -66.66 -44.26 82.31 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.675 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' B' ' 76' ' ' PHE . 1.8 t -80.87 -29.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.875 -1.141 . . . . 0.0 109.145 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.2 m -65.65 -40.04 92.04 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 p -69.93 -40.0 75.77 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.31 78.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 50.6 t -69.97 -39.99 75.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.0 108.872 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.07 -40.27 88.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.87 -40.05 91.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.98 -1.075 . . . . 0.0 109.997 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.3 t80 . . . . . 0 C--N 1.301 -1.535 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.071 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -61.11 -39.51 90.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.97 -40.06 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.566 -0.709 . . . . 0.0 110.043 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 108.406 179.842 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -61.19 -39.32 89.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.505 -0.747 . . . . 0.0 109.306 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.0 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.614 -0.679 . . . . 0.0 110.118 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.85 -38.85 83.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.694 -1.253 . . . . 0.0 108.408 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.566 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.327 -0.858 . . . . 0.0 108.931 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.93 -19.46 1.02 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.934 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.4 tt0 -59.98 -50.82 72.24 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.785 -1.197 . . . . 0.0 110.086 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -71.1 -39.99 71.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.458 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.76 96.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.0 tpp -59.98 -44.65 94.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.043 . . . . 0.0 109.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 4' ' ' GLU . 92.8 t -60.18 -40.05 82.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.495 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.05 -41.4 92.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.933 -1.105 . . . . 0.0 109.679 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.79 -41.37 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.892 -1.13 . . . . 0.0 108.758 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.5 -39.52 81.23 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.157 -0.964 . . . . 0.0 109.141 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.93 -39.92 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -47.78 -54.21 13.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.381 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.65 -22.87 46.21 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.251 -0.906 . . . . 0.0 111.701 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 HE21 HH22 ' A' ' 20' ' ' ARG . 68.8 tp60 -59.99 -46.21 90.2 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 111.395 -177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 38.4 p90 -102.39 -33.48 9.54 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.904 -1.123 . . . . 0.0 110.475 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.7 p -62.71 -39.09 92.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.046 -1.034 . . . . 0.0 111.283 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.65 1.85 65.54 Favored Glycine 0 N--CA 1.494 2.533 0 C-N-CA 119.915 -1.136 . . . . 0.0 111.315 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.441 HH22 HE21 ' A' ' 16' ' ' GLN . 50.2 mtt-85 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.608 -1.525 . . . . 0.0 110.782 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -161.73 158.28 25.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.734 -1.229 . . . . 0.0 110.086 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -164.65 51.42 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.31 140.58 31.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.479 -1.013 . . . . 0.0 109.77 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -68.36 -26.24 65.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.428 -0.795 . . . . 0.0 110.048 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.13 -35.6 69.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.842 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -124.54 160.17 28.96 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.171 -0.956 . . . . 0.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -118.95 122.62 42.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.81 -0.556 . . . . 0.0 110.86 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 79.4 tttt -86.9 148.21 25.45 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.8 ptpt -42.21 -34.85 0.82 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.192 -0.943 . . . . 0.0 110.046 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -62.37 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.921 -1.112 . . . . 0.0 108.913 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' LYS . 49.9 mt-10 -69.24 -40.02 78.13 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -52.0 -39.94 60.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 68.1 mm-40 -71.02 -40.33 71.82 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.707 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 110.571 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.12 -41.5 79.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.903 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -84.84 -22.39 29.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.183 -1.573 . . . . 0.0 111.079 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.53 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -86.81 -42.59 13.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.559 -1.338 . . . . 0.0 110.436 -178.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -83.68 -37.09 23.2 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.719 -1.238 . . . . 0.0 108.622 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 45' ' ' GLU . 19.4 mt -119.57 73.73 0.97 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 45' ' ' GLU . 61.8 m -65.85 -74.68 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 109.694 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -129.57 -14.04 4.2 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.361 -0.837 . . . . 0.0 109.351 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.03 -40.81 90.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 110.603 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.11 -50.01 1.93 Allowed 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 110.138 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 41' ' ' SER . 85.2 mt-10 -130.3 132.43 45.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.378 -0.826 . . . . 0.0 111.584 -177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -115.62 117.45 30.34 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.14 133.79 33.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.413 1.101 . . . . 0.0 108.721 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.59 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.2 -25.04 1.07 Allowed 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -179.128 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.54 143.92 49.89 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.633 0.73 . . . . 0.0 110.445 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.51 -17.98 63.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.9 pt-20 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.678 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.3 t -60.83 -51.6 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.76 -45.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.287 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.73 -39.97 84.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.874 -1.141 . . . . 0.0 109.348 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -67.8 -38.7 83.65 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' VAL . 50.5 t -66.69 -38.01 80.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 65.3 mmm -70.68 -42.3 70.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.293 -0.879 . . . . 0.0 109.074 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.37 -30.49 69.59 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.52 -1.362 . . . . 0.0 107.854 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.988 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 64.5 mt -106.22 -52.26 2.83 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.226 -0.921 . . . . 0.0 109.859 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.3 t0 -72.04 54.29 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 98.9 mt-10 -67.58 5.19 0.85 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.584 0.707 . . . . 0.0 109.375 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.5 m-20 -80.67 -28.79 36.7 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.53 87.55 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 107.764 -2.134 . . . . 0.0 107.764 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 p-10 -85.72 2.75 44.17 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.19 33.16 82.1 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.9 mt-10 -143.9 153.81 42.69 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.275 -1.132 . . . . 0.0 110.719 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 9.0 t -130.36 123.54 30.17 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.575 -0.703 . . . . 0.0 109.127 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.84 171.13 9.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.087 -1.008 . . . . 0.0 109.652 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 3.8 m-85 -48.31 -49.85 32.4 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.572 -0.705 . . . . 0.0 109.501 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.98 -43.61 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.01 -39.99 75.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.419 ' CE ' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -58.44 -33.81 70.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 108.937 -178.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -69.25 -27.47 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.971 -1.081 . . . . 0.0 109.475 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.026 . . . . 0.0 109.239 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -68.22 -40.05 82.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.125 -0.984 . . . . 0.0 108.754 -179.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -65.16 -42.76 93.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.597 -0.689 . . . . 0.0 111.321 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ptm -69.93 -40.48 75.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.498 -1.376 . . . . 0.0 109.55 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.21 -39.59 77.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.664 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.444 HG21 ' CE ' ' B' ' 74' ' ' MET . 93.1 m -67.83 -39.97 83.82 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 m -68.79 -40.01 79.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.58 -0.7 . . . . 0.0 109.167 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.03 78.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 111.013 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 23.2 p -65.69 -42.28 91.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.884 -1.135 . . . . 0.0 109.563 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 51.5 t-80 -60.35 -39.96 89.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 0.0 110.095 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.6 -39.99 86.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 C--N 1.3 -1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 109.214 178.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.386 0.612 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.97 -40.01 87.63 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.35 -0.844 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.18 -19.27 1.12 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.013 . . . . 0.0 109.871 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.0 tt0 -60.07 -50.76 72.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 110.12 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -71.04 -39.99 71.98 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.932 -1.105 . . . . 0.0 109.526 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.6 95.7 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.415 -0.803 . . . . 0.0 110.234 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.97 -44.49 94.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.951 -1.093 . . . . 0.0 109.676 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 4' ' ' GLU . 88.6 t -60.29 -40.03 82.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.61 92.35 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.31 -41.83 94.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.968 -1.082 . . . . 0.0 109.607 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.37 -41.56 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.992 -1.068 . . . . 0.0 108.723 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.49 -39.57 81.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.134 -0.979 . . . . 0.0 109.141 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.81 -39.99 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.648 ' CZ ' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -47.65 -54.37 12.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.315 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.44 -22.87 47.0 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 111.864 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.463 HE21 HH22 ' B' ' 20' ' ' ARG . 68.5 tp60 -60.04 -46.19 90.33 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 111.435 -177.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.543 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.1 p90 -102.42 -33.72 9.44 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.889 -1.132 . . . . 0.0 110.491 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 55.0 p -62.28 -39.3 92.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.029 -1.045 . . . . 0.0 111.19 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 1.04 65.01 Favored Glycine 0 N--CA 1.494 2.518 0 O-C-N 120.962 -1.086 . . . . 0.0 111.453 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.463 HH22 HE21 ' B' ' 16' ' ' GLN . 50.1 mtt-85 -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.627 -1.513 . . . . 0.0 110.871 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -161.54 158.32 26.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.686 -1.259 . . . . 0.0 110.091 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.01 -164.55 51.58 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.29 140.71 31.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.55 -0.97 . . . . 0.0 109.714 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -68.48 -26.18 65.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.409 -0.807 . . . . 0.0 110.028 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.18 -35.58 69.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.848 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -124.56 160.38 28.51 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -119.26 122.75 42.62 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.878 -0.514 . . . . 0.0 110.778 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' GLU . 80.0 tttt -87.11 148.26 25.3 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.7 ptpt -42.09 -34.87 0.79 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.258 -0.901 . . . . 0.0 110.037 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -62.33 -40.2 95.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.999 -1.063 . . . . 0.0 108.894 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 28' ' ' LYS . 49.6 mt-10 -69.28 -40.03 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.12 -37.68 83.63 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -52.25 -39.99 61.09 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 68.4 mm-40 -70.85 -40.58 72.27 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.615 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.955 -1.09 . . . . 0.0 110.634 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.0 -41.52 79.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.872 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.81 -22.44 29.51 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.202 -1.561 . . . . 0.0 111.105 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.53 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.77 -42.6 13.19 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.541 -1.35 . . . . 0.0 110.449 -178.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -83.62 -37.21 23.18 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.636 -1.29 . . . . 0.0 108.636 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' GLU . 19.3 mt -119.5 73.69 0.97 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 45' ' ' GLU . 39.8 m -66.35 -74.09 0.12 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.931 -1.106 . . . . 0.0 109.672 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -129.3 -14.35 4.29 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.01 -40.96 91.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.391 -0.818 . . . . 0.0 110.623 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.03 -50.07 1.94 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.122 -0.986 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 41' ' ' SER . 85.2 mt-10 -130.36 132.69 45.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.297 -0.877 . . . . 0.0 111.463 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -115.96 117.25 29.62 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.84 133.96 33.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-O 122.428 1.108 . . . . 0.0 108.83 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.31 -25.09 1.06 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -123.5 143.99 49.82 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.646 0.736 . . . . 0.0 110.366 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -69.79 -17.88 63.44 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.94 -40.14 87.94 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.704 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 56' ' ' VAL . 3.1 t -60.8 -51.73 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.68 -45.69 97.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.321 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.68 -39.95 84.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 0.0 109.324 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -67.79 -38.86 83.91 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.0 t -66.41 -38.26 81.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.56 -42.42 71.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 109.114 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.35 -30.38 69.51 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.472 -1.392 . . . . 0.0 107.846 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.986 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' B' ' 75' ' ' ALA . 67.2 mt -106.03 -52.37 2.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.237 -0.914 . . . . 0.0 109.855 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.7 t0 -72.07 54.19 0.28 Allowed 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 60' ' ' LEU . 98.9 mt-10 -67.57 5.16 0.86 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.603 0.716 . . . . 0.0 109.337 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -80.53 -28.81 37.26 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 8.76 87.38 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.727 -2.149 . . . . 0.0 107.727 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 44.0 p-10 -86.14 3.16 43.95 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.467 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.64 33.72 85.31 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.596 -1.802 . . . . 0.0 108.596 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.3 mt-10 -144.13 153.75 42.47 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.372 -1.075 . . . . 0.0 110.681 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.6 t -130.4 123.37 29.7 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.55 171.34 9.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.648 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 3.8 m-85 -48.49 -49.7 34.71 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.564 0.697 . . . . 0.0 109.512 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -60.01 -43.68 95.08 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.841 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.97 -1.081 . . . . 0.0 109.02 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.06 -36.84 85.32 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 81' ' ' THR . 0.0 OUTLIER -58.49 -33.7 70.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.363 -0.836 . . . . 0.0 108.919 -178.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' B' ' 60' ' ' LEU . . . -69.17 -27.66 65.72 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.992 -1.067 . . . . 0.0 109.468 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.03 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 109.203 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.455 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.04 -39.93 82.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.112 -0.992 . . . . 0.0 108.8 -179.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 73.3 p -65.34 -42.53 92.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 14.3 ptm -70.03 -40.61 75.08 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.473 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.2 -39.45 76.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.624 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 74' ' ' MET . 94.4 m -67.92 -40.01 83.46 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.9 m -68.78 -39.99 79.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.627 -0.671 . . . . 0.0 109.35 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.91 78.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.243 -0.911 . . . . 0.0 110.983 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 21.9 p -65.98 -42.21 90.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.843 -1.16 . . . . 0.0 109.614 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 51.5 t-80 -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 110.127 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -39.96 86.8 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 . . . . . 0 C--N 1.3 -1.553 0 O-C-N 121.078 -1.014 . . . . 0.0 109.208 178.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.562 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.12 0.486 . . . . 0.0 110.112 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.562 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 7.2 ttpm? -60.02 -42.31 94.05 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.077 -1.014 . . . . 0.0 109.936 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.02 -40.04 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.079 -1.013 . . . . 0.0 110.506 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.009 -1.057 . . . . 0.0 109.047 -178.85 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.594 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.081 0.467 . . . . 0.0 110.19 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.594 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 7.2 ttpm? -60.01 -42.66 94.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.094 -1.004 . . . . 0.0 109.922 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.93 -40.03 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.074 -1.016 . . . . 0.0 110.489 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -39.61 86.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.87 -1.144 . . . . 0.0 109.017 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.63 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.508 ' OG ' ' ND2' ' B' ' 38' ' ' ASN . 35.1 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.48 0.657 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -17.83 63.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -50.02 -23.42 2.05 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.94 -1.1 . . . . 0.0 108.733 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.23 -52.14 50.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.509 -0.744 . . . . 0.0 110.226 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.77 -29.99 65.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.92 -1.112 . . . . 0.0 110.052 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.92 45.75 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.17 -42.22 94.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.739 -1.225 . . . . 0.0 110.279 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 m -60.81 -39.26 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.09 . . . . 0.0 108.935 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.31 93.26 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.093 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.36 -41.58 93.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.198 -0.938 . . . . 0.0 108.981 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.08 -45.76 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 108.867 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -71.32 -40.06 71.02 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.234 -0.917 . . . . 0.0 109.954 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.97 -33.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CG ' ' CE2' ' A' ' 70' ' ' PHE . 89.3 t80 -59.3 -46.45 88.52 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.372 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -79.87 -22.49 42.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 111.147 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -60.1 -44.56 94.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.014 -1.054 . . . . 0.0 110.886 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 42.6 p90 -105.91 -26.89 11.51 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.108 -0.995 . . . . 0.0 110.69 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 t -60.09 -39.04 84.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.46 -1.4 . . . . 0.0 109.693 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.49 3.22 6.35 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 20' ' ' ARG . 16.9 ttt-85 -60.36 -40.16 89.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -1.143 . . . . 0.0 109.73 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 22' ' ' GLY . 97.4 mt-10 -134.45 163.61 29.3 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.332 -0.855 . . . . 0.0 109.627 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -54.69 -169.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 55.79 50.81 13.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.992 -1.299 . . . . 0.0 109.048 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.39 -25.87 66.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.642 -0.661 . . . . 0.0 110.556 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -70.13 -21.41 63.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 109.881 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -131.32 158.32 40.98 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.342 -0.849 . . . . 0.0 109.8 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.03 138.95 47.97 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.9 ttmm -103.38 154.13 19.73 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 7.8 mtmp? -41.67 -42.73 2.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.382 -0.824 . . . . 0.0 109.828 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -60.81 -40.11 91.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.447 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.4 mt-10 -68.23 -39.99 82.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.183 -0.948 . . . . 0.0 109.263 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -65.45 -39.02 91.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.025 . . . . 0.0 108.536 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.64 -39.83 71.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -69.28 -40.19 77.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.34 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 17.9 tp -59.98 -49.95 75.65 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.647 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.11 -41.4 84.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 110.286 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.67 -24.58 45.05 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.822 -1.174 . . . . 0.0 110.982 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -88.05 -21.77 24.57 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.863 -1.148 . . . . 0.0 110.795 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 21.6 mp0 -109.0 -32.3 7.3 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.925 -1.109 . . . . 0.0 109.409 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' GLU . 22.3 mt -113.43 45.24 1.43 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.449 -0.782 . . . . 0.0 108.963 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -59.92 -53.71 54.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 109.948 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -130.33 -8.3 4.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.502 -0.749 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -62.48 -44.91 95.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.1 -1.0 . . . . 0.0 109.254 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.09 -99.59 0.33 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.568 -0.708 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -97.42 141.61 30.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.112 -0.992 . . . . 0.0 111.113 -179.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 86.2 tt0 -100.81 119.03 38.05 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.496 HG21 HG23 ' A' ' 53' ' ' VAL . 21.9 mm -90.17 109.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 122.026 0.917 . . . . 0.0 110.97 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -122.33 -14.4 7.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.808 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 80.4 tt0 -124.03 137.47 54.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.631 -0.668 . . . . 0.0 109.979 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -61.63 -25.31 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 15.8 pt-20 -52.45 -42.07 63.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.826 . . . . 0.0 109.783 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.9 t -64.95 -49.84 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.496 HG23 HG21 ' A' ' 47' ' ' ILE . 2.4 t -61.2 -48.28 89.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.363 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.85 -43.74 97.93 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.171 -0.956 . . . . 0.0 109.513 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -70.03 -36.19 74.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.809 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.6 t -72.65 -31.31 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -70.25 -40.03 74.68 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.546 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -68.99 -39.47 79.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.748 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.95 -52.68 3.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.253 -0.904 . . . . 0.0 109.285 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.1 t0 -79.91 57.16 2.52 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -68.42 1.31 3.12 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.1 m-20 -76.43 -34.22 58.79 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 10.87 70.15 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.4 p-10 -84.47 3.15 37.66 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.12 33.95 86.12 Favored Glycine 0 N--CA 1.483 1.804 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.3 mt-10 -145.68 159.64 42.86 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.362 -1.081 . . . . 0.0 110.608 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.01 127.72 36.82 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -89.17 170.74 10.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 14' ' ' PHE . 3.1 t80 -49.57 -48.26 48.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.333 -0.854 . . . . 0.0 109.294 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -60.2 -39.98 88.44 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 110.09 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.35 -39.3 81.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.059 -1.025 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.98 -40.76 90.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 108.86 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.7 mmm -60.87 -38.82 86.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.43 70.3 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.177 -0.952 . . . . 0.0 110.396 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -59.68 -40.21 87.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.633 -1.292 . . . . 0.0 108.061 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -66.24 -40.17 86.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 107.661 -1.236 . . . . 0.0 107.661 178.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.7 t -62.57 -46.63 87.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.669 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -69.58 -40.09 76.94 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.292 -1.363 . . . . 0.0 110.019 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.64 -34.86 29.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.02 -1.05 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' VAL . 51.6 m -69.26 -39.82 78.19 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' SER . 92.6 m -66.66 -40.05 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.04 94.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.065 -1.022 . . . . 0.0 109.067 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.6 t -62.1 -47.42 84.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.842 . . . . 0.0 108.962 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.15 -39.89 87.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.448 -0.782 . . . . 0.0 108.925 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.19 -40.03 88.6 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.595 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.516 ' OG ' ' ND2' ' A' ' 38' ' ' ASN . 42.6 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.426 0.631 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.2 -17.92 64.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.66 -23.38 1.7 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 108.767 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -66.64 -51.91 50.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -71.74 -30.01 65.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.965 -1.085 . . . . 0.0 109.992 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.3 -40.02 45.83 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 110.379 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.4 ttm -59.91 -42.55 94.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.888 -1.132 . . . . 0.0 110.244 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -60.88 -39.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.138 -0.977 . . . . 0.0 108.936 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.86 93.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.9 -41.24 91.74 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.218 -0.926 . . . . 0.0 108.766 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.21 -45.77 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 108.75 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.06 -40.34 71.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 0.0 110.053 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -60.13 -32.81 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.455 ' CG ' ' CE2' ' B' ' 70' ' ' PHE . 88.7 t80 -58.7 -47.18 85.44 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.272 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.57 -22.73 43.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 111.273 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.88 -44.53 94.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.96 -1.088 . . . . 0.0 110.965 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 41.5 p90 -105.82 -26.87 11.57 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.079 -1.013 . . . . 0.0 110.809 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -60.21 -38.97 84.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.408 -1.432 . . . . 0.0 109.801 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.61 2.88 6.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 20' ' ' ARG . 17.4 ttt-85 -60.21 -39.86 88.08 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.359 -1.083 . . . . 0.0 109.672 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 22' ' ' GLY . 96.6 mt-10 -134.26 163.28 29.99 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.384 -0.823 . . . . 0.0 109.518 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.05 -169.11 0.05 OUTLIER Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 56.11 50.47 13.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -1.227 . . . . 0.0 108.942 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.08 -26.35 66.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.608 -0.683 . . . . 0.0 110.619 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -69.96 -21.12 63.28 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.921 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.25 158.11 41.46 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.3 -0.875 . . . . 0.0 109.755 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -111.9 139.06 47.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.6 ttmm -103.39 154.12 19.75 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 7.8 mtmp? -41.89 -43.21 2.97 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.385 -0.822 . . . . 0.0 109.609 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -60.45 -40.09 89.89 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 109.693 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 46.9 mt-10 -68.12 -39.87 82.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 109.337 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.8 -39.71 94.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.186 -0.946 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.58 -39.92 71.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 38' ' ' ASN . 50.1 tp10 -68.95 -40.72 78.77 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.526 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.518 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 16.0 tp -59.91 -50.03 75.39 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.83 -41.36 84.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 O-C-N 120.771 -1.206 . . . . 0.0 110.408 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.74 -24.62 44.71 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.0 110.929 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.5 OUTLIER -87.94 -21.68 24.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.797 -1.189 . . . . 0.0 110.939 -178.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 22.8 mp0 -109.39 -31.78 7.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.929 -1.107 . . . . 0.0 109.383 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' B' ' 45' ' ' GLU . 22.5 mt -113.68 44.85 1.53 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -59.97 -53.67 55.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.915 -1.115 . . . . 0.0 109.973 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -130.23 -8.23 4.28 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.411 -0.806 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -62.6 -44.73 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 109.393 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.1 -99.64 0.33 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.518 -0.739 . . . . 0.0 109.117 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 46' ' ' GLU . 0.7 OUTLIER -97.75 142.55 29.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.08 -1.012 . . . . 0.0 110.982 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -101.25 119.37 38.65 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 53' ' ' VAL . 22.1 mm -90.22 110.04 21.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.995 0.902 . . . . 0.0 110.852 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -122.47 -14.1 7.88 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.699 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.7 tt0 -123.88 137.83 54.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.613 -0.68 . . . . 0.0 109.915 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -62.26 -25.21 67.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.355 -0.84 . . . . 0.0 110.065 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.533 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 15.6 pt-20 -52.37 -42.5 64.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.852 . . . . 0.0 109.651 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' ' 56' ' ' VAL . 1.6 t -64.56 -49.75 79.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG23 HG21 ' B' ' 47' ' ' ILE . 2.3 t -61.39 -48.13 90.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.72 -44.39 96.69 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.323 -0.86 . . . . 0.0 109.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -69.77 -35.73 75.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.244 -0.91 . . . . 0.0 109.09 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 52' ' ' VAL . 55.4 t -73.26 -31.08 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.574 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.2 OUTLIER -70.26 -40.2 74.52 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.459 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.03 -31.74 70.25 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -39.31 78.31 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -102.79 -52.93 2.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 109.162 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.2 t0 -79.78 57.08 2.44 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -68.2 1.08 3.09 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.2 m-20 -76.24 -34.61 59.19 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.09 69.54 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.0 p-10 -84.5 3.23 37.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.06 33.81 85.5 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.3 mt-10 -145.58 159.56 42.95 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.369 -1.077 . . . . 0.0 110.834 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -132.0 127.7 36.81 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -89.25 170.72 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.451 -0.781 . . . . 0.0 109.508 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE2' ' CG ' ' B' ' 14' ' ' PHE . 3.3 t80 -49.6 -48.27 49.02 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.326 -0.859 . . . . 0.0 109.225 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.1 -39.8 87.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 110.114 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.79 -38.85 80.28 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.956 -1.09 . . . . 0.0 109.388 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.04 -41.44 92.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 108.526 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.25 -38.91 84.95 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.9 70.85 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.211 -0.93 . . . . 0.0 110.475 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -59.66 -40.04 86.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.799 -1.188 . . . . 0.0 108.086 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' B' ' 81' ' ' THR . 0.8 OUTLIER -66.39 -40.29 86.27 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -46.93 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.63 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -69.42 -40.0 77.54 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.008 -1.477 . . . . 0.0 110.05 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.55 -34.69 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.935 -1.103 . . . . 0.0 108.342 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' B' ' 77' ' ' VAL . 52.1 m -69.36 -39.91 77.81 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.7 m -66.87 -40.09 87.72 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.467 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.92 94.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.152 -0.968 . . . . 0.0 109.074 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.04 -47.2 85.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 108.985 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.24 -40.06 88.92 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -39.84 88.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.3 -1.581 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.5 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.55 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.55 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 62.7 tttp -59.92 -49.97 75.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 0.0 110.213 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.47 -24.8 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.301 -1.543 0 O-C-N 121.149 -0.97 . . . . 0.0 109.808 -178.881 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.559 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.605 0.717 . . . . 0.0 109.068 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.559 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -59.92 -49.84 76.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.75 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -70.25 -24.81 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.32 -39.86 84.45 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.247 -0.908 . . . . 0.0 109.777 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.63 -179.695 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.329 0.585 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 4' ' ' GLU . 98.1 mt-10 -60.97 -36.38 79.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 109.818 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.32 -23.79 0.64 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.014 -1.054 . . . . 0.0 108.735 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.3 tt0 -67.91 -59.24 3.44 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.827 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -33.42 71.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.119 -0.988 . . . . 0.0 109.607 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.99 92.01 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.085 -1.009 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.7 ttm -60.6 -40.28 91.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.007 -1.058 . . . . 0.0 109.183 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.02 -40.49 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.76 87.08 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.404 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.89 -41.27 95.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.043 -1.036 . . . . 0.0 109.661 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -40.38 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.993 -1.067 . . . . 0.0 108.907 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -69.98 -39.94 75.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.62 -35.83 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.22 -49.41 76.11 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.976 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' B' ' 85' ' ' HIS . 37.8 m170 -80.8 -22.59 39.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.08 -1.013 . . . . 0.0 111.156 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -59.62 -42.49 92.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.117 -0.989 . . . . 0.0 112.009 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CD2' HD23 ' A' ' 35' ' ' LEU . 32.8 p90 -110.26 -30.98 7.48 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.86 -1.15 . . . . 0.0 111.038 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' HD21 ' A' ' 27' ' ' LEU . 56.7 p -62.09 -41.56 98.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.972 -1.08 . . . . 0.0 111.05 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.35 13.55 64.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 31.2 ttt-85 -68.81 -42.74 76.87 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 120.671 -1.488 . . . . 0.0 109.824 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -162.48 156.29 20.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.702 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.24 -151.83 35.39 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.75 116.05 21.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -1.065 . . . . 0.0 110.114 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -67.41 -26.39 66.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.543 -0.723 . . . . 0.0 109.971 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.55 -35.67 73.24 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.233 -0.917 . . . . 0.0 111.661 -177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -129.53 155.65 45.43 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.08 -1.013 . . . . 0.0 109.697 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 18' ' ' SER . 78.2 mt -104.95 128.89 53.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.549 -0.72 . . . . 0.0 110.506 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 30' ' ' SER . 31.9 ttpt -100.47 148.87 24.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.5 ptmt -40.65 -40.59 1.32 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.692 -0.63 . . . . 0.0 111.121 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 69.8 m -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.665 -1.272 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.947 -1.096 . . . . 0.0 108.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -63.44 -37.95 89.27 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.388 -0.82 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.77 -40.02 72.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.753 -1.217 . . . . 0.0 107.738 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' ASN . 85.2 tt0 -66.53 -40.25 89.01 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.269 -0.972 . . . . 0.0 108.487 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.729 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.05 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.432 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.43 HG22 HD11 ' A' ' 47' ' ' ILE . 57.0 mt -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.932 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 35.2 t30 -80.55 -23.11 40.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.754 -1.216 . . . . 0.0 111.675 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t30 -89.03 -27.31 20.93 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.836 -1.165 . . . . 0.0 111.329 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 19.4 mp0 -101.77 -24.93 13.99 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.87 -1.144 . . . . 0.0 108.896 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 45' ' ' GLU . 16.3 mt -123.64 46.65 2.18 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -43.63 -80.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.837 . . . . 0.0 110.697 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -122.66 14.63 10.17 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.477 -0.764 . . . . 0.0 109.949 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.6 m-85 -68.67 -39.95 80.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.001 -1.062 . . . . 0.0 110.055 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -156.48 -35.37 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.783 -1.198 . . . . 0.0 109.947 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' HD12 ' A' ' 44' ' ' LEU . 90.9 mt-10 -119.51 117.5 28.58 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.299 -0.876 . . . . 0.0 110.153 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -107.75 121.82 45.49 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 HG22 ' A' ' 36' ' ' ILE . 1.3 mm -103.78 122.61 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 122.298 1.047 . . . . 0.0 109.95 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.578 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.63 -13.28 1.73 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -124.51 157.86 34.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.492 -0.755 . . . . 0.0 110.392 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.54 -20.93 49.57 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.08 -41.11 91.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.432 -0.792 . . . . 0.0 110.102 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.7 t -64.39 -46.3 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.13 -44.73 98.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.136 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.12 -42.67 96.77 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 118.901 -1.12 . . . . 0.0 109.807 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -37.51 75.8 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.154 -0.966 . . . . 0.0 108.998 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' VAL . 46.1 t -68.06 -35.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.706 -0.621 . . . . 0.0 109.467 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 83.7 mmm -70.22 -39.96 74.81 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.053 -1.029 . . . . 0.0 109.898 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.87 -27.55 66.78 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.401 -1.437 . . . . 0.0 107.27 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -72.57 -35.32 67.92 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.988 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 11.7 mt -103.57 -58.7 1.83 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 65.8 t0 -69.51 56.84 0.12 Allowed 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 95.7 mt-10 -66.54 6.18 0.49 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.608 0.718 . . . . 0.0 109.47 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.7 m-20 -93.62 -29.05 15.66 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.2 85.17 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 36.3 p-10 -79.46 1.65 24.81 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.42 31.33 71.2 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 107.908 -2.077 . . . . 0.0 107.908 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.7 mt-10 -143.39 155.65 44.47 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.548 -0.972 . . . . 0.0 110.057 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 2.8 t -132.7 126.73 33.22 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -84.99 170.05 13.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.016 -1.052 . . . . 0.0 109.565 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 14.1 p90 -54.77 -43.21 72.58 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.566 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -63.38 -40.74 98.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 109.62 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.33 -39.94 77.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 110.684 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -67.85 -37.57 82.02 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 179.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -60.58 -34.63 74.47 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.323 -0.861 . . . . 0.0 109.099 -179.027 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -29.74 68.86 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.146 -0.971 . . . . 0.0 110.117 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.76 -40.81 89.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.01 -1.056 . . . . 0.0 108.678 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.442 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.5 t -59.96 -43.07 91.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 O-C-N 121.443 -0.786 . . . . 0.0 108.947 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -60.15 -44.1 95.23 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.604 -0.685 . . . . 0.0 109.826 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.3 -45.3 95.04 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.097 -1.041 . . . . 0.0 109.449 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.4 -38.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.6 m -61.23 -40.15 92.94 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.736 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.9 m -67.57 -41.02 84.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.543 -0.723 . . . . 0.0 109.101 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.27 73.27 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.274 -0.891 . . . . 0.0 109.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -61.06 -40.24 92.92 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.156 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' B' ' 15' ' ' HIS . 54.5 t-80 -60.28 -38.02 82.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.127 -0.983 . . . . 0.0 109.615 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.57 -31.01 65.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 108.7 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -51.61 -32.75 30.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.8 116.71 25.07 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.224 -0.923 . . . . 0.0 108.918 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -99.29 -162.11 0.93 Allowed 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -60.06 -40.26 88.86 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.461 -0.774 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.357 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' B' ' 4' ' ' GLU . 98.7 mt-10 -60.75 -35.37 76.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -48.9 -22.16 0.79 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.909 -1.119 . . . . 0.0 108.872 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.0 tt0 -68.83 -59.29 3.19 Favored 'General case' 0 C--N 1.303 -1.449 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.619 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -33.78 72.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 109.571 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.75 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.869 -1.145 . . . . 0.0 109.71 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 59.4 ttm -60.45 -40.43 91.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.05 -40.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.75 91.27 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.368 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.86 -41.14 97.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.912 -1.117 . . . . 0.0 109.602 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -40.52 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.897 -1.127 . . . . 0.0 108.88 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.02 -39.78 75.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.943 -1.098 . . . . 0.0 109.342 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.45 -36.61 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -56.64 -49.43 75.04 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 109.86 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 85' ' ' HIS . 38.3 m170 -80.93 -22.23 39.84 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.898 -1.126 . . . . 0.0 111.37 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.08 -42.32 94.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.083 -1.011 . . . . 0.0 111.814 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.578 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -110.18 -31.01 7.49 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.927 -1.108 . . . . 0.0 111.116 -178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.463 ' CB ' HD21 ' B' ' 27' ' ' LEU . 60.7 p -61.73 -41.71 97.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.056 -1.028 . . . . 0.0 110.95 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.27 13.28 65.51 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 20' ' ' ARG . 27.9 ttt-85 -69.16 -42.83 75.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.893 -1.357 . . . . 0.0 109.845 -179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -161.94 156.67 22.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.333 -0.854 . . . . 0.0 109.664 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.04 -151.36 35.12 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -82.3 115.56 21.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -1.085 . . . . 0.0 110.146 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -67.11 -26.29 66.63 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.432 -0.792 . . . . 0.0 110.116 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -70.58 -35.84 73.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 111.471 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -129.48 155.83 45.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.131 -0.981 . . . . 0.0 109.549 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' B' ' 18' ' ' SER . 76.0 mt -105.15 128.28 53.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.635 -0.666 . . . . 0.0 110.698 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' B' ' 30' ' ' SER . 30.3 ttpt -99.37 149.04 23.56 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -40.79 -40.71 1.4 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.689 -0.632 . . . . 0.0 111.115 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.4 ' H ' ' HG2' ' B' ' 28' ' ' LYS . 57.0 m -61.71 -43.52 98.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.518 -1.364 . . . . 0.0 110.524 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -70.13 -39.81 75.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.849 -1.157 . . . . 0.0 108.943 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.07 -38.25 90.44 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.517 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.78 -39.88 71.85 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 38' ' ' ASN . 84.7 tt0 -66.74 -40.31 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.446 -0.901 . . . . 0.0 108.614 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.728 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -59.87 -49.98 75.56 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.351 -0.843 . . . . 0.0 109.254 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.412 HG22 HD11 ' B' ' 47' ' ' ILE . 57.0 mt -65.72 -43.45 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.14 -0.975 . . . . 0.0 109.878 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -80.44 -23.48 40.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.855 -1.153 . . . . 0.0 111.619 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -88.64 -27.61 21.18 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.778 -1.201 . . . . 0.0 111.468 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 20.8 mp0 -101.99 -24.37 14.0 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.854 -1.154 . . . . 0.0 108.977 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' B' ' 45' ' ' GLU . 18.0 mt -124.41 46.64 2.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -44.05 -80.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.294 -0.879 . . . . 0.0 110.675 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -122.84 15.14 10.07 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.396 -0.815 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.449 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 88.2 m-85 -69.38 -40.17 77.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.784 -1.198 . . . . 0.0 109.939 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 45' ' ' GLU . 0.3 OUTLIER -155.81 -35.54 0.09 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.84 -1.163 . . . . 0.0 110.099 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' B' ' 40' ' ' LEU . 91.5 mt-10 -119.51 117.28 27.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.497 -0.752 . . . . 0.0 110.354 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -107.21 122.1 45.85 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.412 HD11 HG22 ' B' ' 36' ' ' ILE . 1.4 mm -104.73 122.45 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 122.294 1.045 . . . . 0.0 109.864 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.85 -12.55 1.71 Allowed 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.81 157.77 35.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.519 -0.738 . . . . 0.0 110.354 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.8 -20.73 49.09 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -60.04 -41.47 92.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.572 -0.705 . . . . 0.0 110.048 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.451 ' O ' HG23 ' B' ' 56' ' ' VAL . 5.5 t -63.88 -46.77 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.15 -44.85 99.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.132 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.01 -42.51 97.12 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.9 -1.12 . . . . 0.0 109.88 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.07 -37.52 75.49 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.203 -0.936 . . . . 0.0 108.901 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.1 t -68.13 -35.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 109.506 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.581 ' O ' ' N ' ' B' ' 61' ' ' ASP . 83.6 mmm -70.38 -39.94 74.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.059 -1.026 . . . . 0.0 109.787 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.78 -27.79 66.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.418 -1.426 . . . . 0.0 107.201 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -72.4 -35.42 68.41 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.08 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 62' ' ' GLU . 11.2 mt -103.22 -58.69 1.83 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' B' ' 57' ' ' MET . 65.0 t0 -69.42 56.8 0.12 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 60' ' ' LEU . 97.6 mt-10 -66.68 6.75 0.43 Allowed 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.389 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.7 m-20 -93.94 -29.25 15.36 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.34 9.88 85.35 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.545 -1.822 . . . . 0.0 108.545 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.3 p-10 -79.79 2.25 23.71 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.548 -0.972 . . . . 0.0 108.493 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.93 30.97 72.25 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.8 mt-10 -142.89 155.5 44.75 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.56 -0.965 . . . . 0.0 110.067 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 2.0 t -132.49 126.97 34.2 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.45 169.92 13.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.11 -0.994 . . . . 0.0 109.504 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 14.0 p90 -54.53 -43.27 71.79 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.561 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.9 tt0 -63.23 -40.55 97.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.799 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -69.65 -39.83 76.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.975 -1.078 . . . . 0.0 110.502 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -67.79 -37.78 82.49 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.889 0.852 . . . . 0.0 109.162 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -60.9 -33.95 73.91 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.319 -0.863 . . . . 0.0 109.11 -178.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.52 -29.52 68.12 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.229 -0.919 . . . . 0.0 110.154 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.83 -40.67 89.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.959 -1.088 . . . . 0.0 108.682 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.428 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.6 t -59.88 -43.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.41 -0.806 . . . . 0.0 108.827 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.6 t -60.26 -44.21 95.49 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.641 -0.662 . . . . 0.0 109.939 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.55 -45.14 95.43 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.153 -1.019 . . . . 0.0 109.429 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.46 -37.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -61.57 -39.95 92.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.213 -0.929 . . . . 0.0 108.702 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 m -68.08 -40.64 82.62 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.178 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.72 73.56 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.281 -0.887 . . . . 0.0 109.743 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.31 -40.5 94.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.343 -0.848 . . . . 0.0 109.052 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 15' ' ' HIS . 54.6 t-80 -60.11 -38.66 83.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -56.86 -31.55 64.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.12 -34.04 29.09 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.133 -0.98 . . . . 0.0 109.135 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -85.87 117.15 24.56 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.085 -1.009 . . . . 0.0 108.97 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.53 -161.82 0.9 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -60.41 -39.83 88.77 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.479 -0.763 . . . . 0.0 109.703 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.299 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -137.26 130.93 31.61 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.347 -0.846 . . . . 0.0 109.019 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p -139.61 161.04 38.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.563 -0.711 . . . . 0.0 109.411 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' X' ' 5' ' ' ILE . 20.2 ttmt -113.42 140.77 47.8 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.691 -0.63 . . . . 0.0 109.431 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.49 ' CD1' HD11 ' X' ' 10' ' ' ILE . 1.1 pt -61.13 -134.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.469 ' H ' HD12 ' X' ' 5' ' ' ILE . 63.2 t0 -142.53 120.55 12.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.754 -1.216 . . . . 0.0 111.104 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -40.19 91.88 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.451 ' C ' ' ND2' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -60.25 -41.42 93.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 110.821 -178.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.29 -39.95 88.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.894 -1.128 . . . . 0.0 108.767 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' X' ' 5' ' ' ILE . 96.9 mt -69.96 -40.52 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.785 . . . . 0.0 110.834 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.15 -40.02 88.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.875 -1.141 . . . . 0.0 109.448 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.284 -179.749 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.881 0.372 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -136.08 131.3 34.66 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.218 -0.926 . . . . 0.0 109.05 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 47.0 p -139.76 160.71 39.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.555 -0.716 . . . . 0.0 109.641 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 20.6 ttmt -112.88 141.21 46.96 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.478 -0.764 . . . . 0.0 109.533 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.515 ' CD1' HD11 ' Y' ' 10' ' ' ILE . 1.0 OUTLIER -61.56 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.885 . . . . 0.0 108.718 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.487 ' H ' HD12 ' Y' ' 5' ' ' ILE . 63.1 t0 -142.77 120.94 12.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.745 -1.222 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -40.31 90.61 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -59.91 -41.64 92.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.27 -39.69 87.7 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.956 -1.09 . . . . 0.0 108.897 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.515 HD11 ' CD1' ' Y' ' 5' ' ' ILE . 96.9 mt -70.29 -40.69 78.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.533 -0.729 . . . . 0.0 110.779 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.09 -39.27 85.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.899 -1.126 . . . . 0.0 109.374 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 43.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.468 -179.747 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.78 -39.89 91.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.14 -0.975 . . . . 0.0 108.838 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.84 -22.55 25.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.144 -0.973 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 49.0 tp10 -59.76 -52.69 64.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.86 -1.15 . . . . 0.0 110.304 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -74.29 -40.76 62.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.759 -1.213 . . . . 0.0 110.502 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.35 97.35 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.078 -1.013 . . . . 0.0 110.288 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.1 ttm -60.3 -41.12 92.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.088 -1.007 . . . . 0.0 109.614 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.28 -40.15 82.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-O 122.012 0.911 . . . . 0.0 109.142 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.38 98.96 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.441 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.5 -40.05 95.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.38 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.894 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.69 -39.9 76.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.727 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG13 ' OE2' ' A' ' 39' ' ' GLU . 18.5 t -58.66 -36.02 58.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.99 -49.86 76.01 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.975 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -81.21 -24.13 37.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.054 -1.029 . . . . 0.0 111.533 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.96 -43.83 94.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.234 -0.916 . . . . 0.0 112.449 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.768 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 39.7 p90 -109.95 -30.07 7.97 Favored 'General case' 0 N--CA 1.514 2.734 0 O-C-N 120.802 -1.186 . . . . 0.0 110.879 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -59.75 -39.94 86.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.984 -1.072 . . . . 0.0 110.23 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.18 10.18 59.01 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' OE2' ' A' ' 34' ' ' GLU . 65.1 ttt180 -65.71 -42.09 91.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.754 -1.439 . . . . 0.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 20.4 pt-20 -161.6 165.17 28.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.361 -0.837 . . . . 0.0 109.366 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.9 -152.68 51.57 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.846 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -78.36 133.13 37.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.556 -0.967 . . . . 0.0 110.433 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -69.37 -39.92 77.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.83 -18.9 60.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.745 -0.597 . . . . 0.0 112.206 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 mttm -129.7 157.65 41.54 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.862 -1.149 . . . . 0.0 110.588 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.9 mt -117.51 138.96 51.54 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.929 -0.482 . . . . 0.0 109.811 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' GLU . 82.0 tttt -109.42 148.35 31.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.5 ptmt -39.44 -38.53 0.57 Allowed 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.495 -0.753 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.6 p -61.59 -42.68 99.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.091 -1.006 . . . . 0.0 109.643 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 81.5 mt-10 -69.57 -39.31 77.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.022 -1.049 . . . . 0.0 108.459 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.86 -40.01 93.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.84 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -54.36 -40.11 67.79 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ASN . 53.7 tp10 -69.84 -40.01 76.1 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.768 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 19.7 tp -59.76 -51.8 68.19 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.407 -0.808 . . . . 0.0 110.247 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.26 -40.32 86.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 121.371 -0.831 . . . . 0.0 109.371 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' O ' ' OG ' ' A' ' 41' ' ' SER . 20.7 t30 -79.1 -22.74 44.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.876 -1.14 . . . . 0.0 110.189 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.538 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.33 -27.31 24.38 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 110.44 -179.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.568 ' OE2' HG13 ' A' ' 13' ' ' VAL . 98.9 mt-10 -108.9 -33.93 6.79 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.088 -1.007 . . . . 0.0 109.13 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD13 HD12 ' A' ' 44' ' ' LEU . 16.4 mt -114.66 51.4 0.9 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 7.2 m -59.65 -62.15 2.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.115 -0.991 . . . . 0.0 109.831 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -129.63 -5.64 4.66 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 54.0 t80 -60.45 -40.79 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 0.0 109.168 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 40' ' ' LEU . 78.9 mt -127.91 -98.83 0.37 Allowed 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.469 -0.769 . . . . 0.0 109.343 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -93.6 141.54 28.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.39 -0.819 . . . . 0.0 109.412 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 87.9 tt0 -100.26 118.29 36.25 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.1 mm -90.92 109.64 21.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 CA-C-O 122.169 0.985 . . . . 0.0 109.762 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -13.63 8.1 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 43.5 mt-10 -122.15 144.51 48.9 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.564 0.697 . . . . 0.0 110.379 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.69 -20.37 63.55 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.06 -42.7 95.1 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.993 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' VAL . 9.5 t -61.2 -49.97 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.46 -43.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.994 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -62.92 -46.78 86.2 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 118.73 -1.188 . . . . 0.0 108.607 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -70.09 -37.91 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.59 0.709 . . . . 0.0 109.515 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' VAL . 40.8 t -77.08 -30.4 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.508 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.9 tpt -70.25 -40.37 74.44 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.64 -28.23 68.41 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 m -67.61 -27.29 66.78 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.747 -0.596 . . . . 0.0 109.443 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.97 -45.29 4.2 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 52.2 t0 -82.73 59.41 4.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.35 0.64 1.37 Allowed 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -87.77 -33.33 18.7 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.15 12.97 82.66 Favored Glycine 0 N--CA 1.485 1.928 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.6 p-10 -82.88 7.33 15.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.93 38.35 92.79 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 76.2 tt0 -146.79 152.47 38.83 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.3 -1.118 . . . . 0.0 111.001 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 t -132.03 110.95 11.09 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -78.93 166.18 22.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.854 -1.154 . . . . 0.0 110.051 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 26.3 p90 -52.65 -41.35 63.71 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.48 -0.763 . . . . 0.0 109.158 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 66.3 tt0 -63.25 -41.21 99.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -70.34 -40.15 74.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.174 -0.954 . . . . 0.0 110.287 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -65.44 -38.79 90.92 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 108.699 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.91 -32.55 70.86 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.413 -0.804 . . . . 0.0 109.03 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.72 67.46 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.978 -1.076 . . . . 0.0 109.787 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -57.7 -42.61 84.05 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -44.41 95.01 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p -60.54 -44.79 95.71 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.4 ttp -61.27 -47.07 87.72 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.325 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.4 t -78.81 -28.63 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.845 -1.159 . . . . 0.0 109.472 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.0 m -64.85 -40.16 94.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.965 -1.084 . . . . 0.0 108.973 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 p -66.54 -39.42 88.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.677 -0.64 . . . . 0.0 110.079 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.51 90.14 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.692 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.64 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.049 -1.032 . . . . 0.0 109.043 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.18 -39.49 94.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -0.796 . . . . 0.0 109.298 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.518 -0.739 . . . . 0.0 109.578 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -63.09 108.24 1.2 Allowed 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.574 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -96.76 122.95 40.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.326 -0.859 . . . . 0.0 109.399 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -64.06 98.86 0.23 Allowed 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.459 0.647 . . . . 0.0 109.366 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -60.79 -41.93 96.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.339 -0.851 . . . . 0.0 108.881 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 59.1 mp0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.107 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.18 -39.91 90.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.967 -1.083 . . . . 0.0 108.898 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.7 -22.3 22.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.45 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 48.7 tp10 -59.96 -52.92 63.33 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.832 -1.168 . . . . 0.0 110.221 -178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -74.09 -39.99 63.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.769 -1.207 . . . . 0.0 110.594 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.16 95.84 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.091 -1.005 . . . . 0.0 110.161 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.18 -40.95 91.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.595 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 4' ' ' GLU . 81.1 t -60.45 -40.04 82.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.009 0.909 . . . . 0.0 109.042 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.77 98.32 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.473 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.77 -40.39 95.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.0 110.401 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.23 -40.19 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.071 -1.018 . . . . 0.0 108.808 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -70.08 -40.01 75.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.94 -1.1 . . . . 0.0 109.672 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.547 HG13 ' OE2' ' B' ' 39' ' ' GLU . 14.1 t -58.61 -36.2 58.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.65 -50.02 75.49 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.246 -0.909 . . . . 0.0 110.119 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -80.98 -23.87 38.43 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.985 -1.072 . . . . 0.0 111.3 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.94 -43.53 94.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 112.543 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.792 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 39.4 p90 -110.55 -29.94 7.84 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 120.921 -1.112 . . . . 0.0 110.846 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -59.86 -40.12 87.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.984 -1.072 . . . . 0.0 110.185 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.65 10.22 60.15 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.844 -1.169 . . . . 0.0 110.188 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.57 -41.67 92.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.856 -1.379 . . . . 0.0 109.627 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.474 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.8 pt-20 -161.57 164.44 29.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.263 -0.898 . . . . 0.0 109.476 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.83 -152.19 50.07 Favored Glycine 0 N--CA 1.492 2.375 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.957 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.79 132.58 36.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.907 . . . . 0.0 110.36 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.88 -39.92 79.52 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.996 0.903 . . . . 0.0 108.82 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -73.93 -19.4 60.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.878 -0.514 . . . . 0.0 112.102 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -129.34 157.73 41.1 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.925 -1.109 . . . . 0.0 110.621 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -116.93 139.24 50.88 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.713 -0.617 . . . . 0.0 109.72 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 29' ' ' LYS . 81.7 tttt -109.55 148.39 31.32 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.4 ptmt -39.81 -38.41 0.66 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.374 -0.829 . . . . 0.0 110.3 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.468 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 84.1 mt-10 -69.63 -39.22 77.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.074 -1.016 . . . . 0.0 108.553 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.0 -39.7 93.15 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.384 -0.822 . . . . 0.0 109.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -54.59 -40.05 68.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.048 -1.032 . . . . 0.0 108.28 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' B' ' 38' ' ' ASN . 53.6 tp10 -70.15 -39.74 75.16 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.792 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.2 tp -59.75 -51.75 68.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.306 -0.871 . . . . 0.0 110.078 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -66.08 -41.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.511 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' OG ' ' B' ' 41' ' ' SER . 18.5 t30 -78.62 -22.11 47.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.982 -1.074 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.38 -27.57 24.14 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.883 -1.136 . . . . 0.0 110.335 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.547 ' OE2' HG13 ' B' ' 13' ' ' VAL . 98.2 mt-10 -108.7 -34.21 6.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.936 -1.103 . . . . 0.0 109.458 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.447 HD13 HD12 ' B' ' 44' ' ' LEU . 16.6 mt -114.69 52.08 0.86 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 10.6 m -60.31 -62.3 1.97 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.079 -1.013 . . . . 0.0 109.66 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -129.55 -5.65 4.71 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.417 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 52.0 t80 -60.15 -41.17 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.503 HD13 ' HE1' ' Y' ' 7' ' ' TRP . 78.4 mt -128.0 -98.19 0.38 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.438 -0.789 . . . . 0.0 109.224 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -93.8 141.31 28.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.443 -0.786 . . . . 0.0 109.36 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 88.5 tt0 -100.58 117.87 35.58 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 177.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -90.41 109.33 20.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 CA-C-O 122.151 0.977 . . . . 0.0 109.778 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 -13.23 8.28 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -122.22 144.21 49.11 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.667 0.746 . . . . 0.0 110.369 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -69.39 -20.51 63.81 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.43 -42.34 95.84 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.79 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' B' ' 56' ' ' VAL . 10.5 t -61.45 -50.02 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.9 t -60.22 -43.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.121 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -62.26 -47.37 84.64 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.517 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -70.05 -37.37 75.51 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.411 0.624 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' B' ' 52' ' ' VAL . 38.9 t -77.58 -30.52 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.49 ' N ' ' O ' ' B' ' 53' ' ' VAL . 2.8 tpt -69.93 -40.78 75.31 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.55 -27.89 68.01 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 m -67.89 -27.31 66.54 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 120.181 -0.607 . . . . 0.0 109.519 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.98 -45.21 4.22 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.546 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 51.2 t0 -82.59 59.04 4.48 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.02 0.73 1.13 Allowed 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 61' ' ' ASP . 86.8 m-20 -88.27 -33.05 18.2 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.1 12.43 83.3 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.443 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 47.2 p-10 -81.98 6.9 14.61 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.546 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.53 37.83 90.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 76.6 tt0 -146.7 152.32 38.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -1.156 . . . . 0.0 111.239 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -131.33 111.72 12.12 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.61 165.2 23.16 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.94 -1.1 . . . . 0.0 109.992 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.1 p90 -51.62 -42.02 61.7 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.564 -0.71 . . . . 0.0 109.123 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 66.6 tt0 -62.9 -41.31 99.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.256 -0.903 . . . . 0.0 108.984 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.26 -40.04 74.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.157 -0.965 . . . . 0.0 110.15 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.554 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.7 OUTLIER -65.49 -38.47 89.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.939 -1.101 . . . . 0.0 108.748 179.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.2 tpt -60.05 -32.68 71.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.447 -0.783 . . . . 0.0 108.983 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.53 -29.71 67.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.982 -1.074 . . . . 0.0 109.864 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.8 -42.21 83.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -44.92 96.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -60.29 -44.75 95.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 ttp -60.93 -46.98 88.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.555 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 t -78.83 -28.87 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.923 -1.111 . . . . 0.0 109.574 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.4 m -64.79 -39.95 94.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.068 -1.02 . . . . 0.0 108.978 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.4 p -66.92 -39.17 87.29 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.567 -0.708 . . . . 0.0 110.008 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.72 90.41 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.428 -0.795 . . . . 0.0 109.571 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.66 -44.49 96.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.028 -1.045 . . . . 0.0 109.083 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.61 -39.82 92.61 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.611 0.719 . . . . 0.0 109.279 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -59.93 -39.69 86.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.646 -0.659 . . . . 0.0 109.892 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.54 108.87 1.48 Allowed 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 118.914 -1.114 . . . . 0.0 108.585 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -97.03 122.63 40.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.429 -0.795 . . . . 0.0 109.323 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -63.89 98.86 0.22 Allowed 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.475 0.655 . . . . 0.0 109.433 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -61.11 -42.02 97.76 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.355 -0.84 . . . . 0.0 108.968 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.019 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -78.75 140.84 38.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.368 -0.833 . . . . 0.0 109.672 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 70.5 p -147.99 159.82 43.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.981 -1.074 . . . . 0.0 109.733 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -79.17 169.96 17.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.193 -0.942 . . . . 0.0 109.703 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.968 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.6 pp -59.38 -46.72 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.207 -0.933 . . . . 0.0 110.027 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.968 ' N ' HD12 ' X' ' 5' ' ' ILE . 1.4 m-20 165.95 38.07 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.639 ' HA ' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -60.61 -24.47 65.52 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.65 -0.656 . . . . 0.0 109.242 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.38 -40.47 86.64 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.245 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.32 -37.34 83.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.469 -0.769 . . . . 0.0 109.104 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' X' ' 7' ' ' TRP . 96.5 mt -59.97 -45.99 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.955 . . . . 0.0 110.103 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -40.07 88.19 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.772 -1.205 . . . . 0.0 108.669 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.944 -1.026 . . . . 0.0 109.344 179.43 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -77.63 141.79 39.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 73.8 p -148.77 159.94 43.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.078 -1.014 . . . . 0.0 109.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' B' ' 44' ' ' LEU . 62.0 mttm -79.97 169.46 17.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.067 -1.021 . . . . 0.0 109.351 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.919 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.5 pp -58.6 -46.95 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 110.031 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.919 ' N ' HD12 ' Y' ' 5' ' ' ILE . 1.4 m-20 166.65 38.46 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.632 ' HA ' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -60.56 -24.34 65.34 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.675 -0.641 . . . . 0.0 109.5 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.25 -40.94 87.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.981 -1.074 . . . . 0.0 108.254 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -66.8 -37.67 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' Y' ' 7' ' ' TRP . 96.4 mt -59.55 -46.38 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -39.7 87.43 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.839 -1.163 . . . . 0.0 108.665 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.338 179.628 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.16 -39.92 86.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.6 -25.02 1.53 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.891 -1.13 . . . . 0.0 108.658 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.28 -49.72 76.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 109.638 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 19.4 pttt -69.98 -29.99 67.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 109.591 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -77.87 -39.97 41.6 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.445 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtp -60.0 -43.08 95.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.601 -1.312 . . . . 0.0 110.073 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.2 m -60.76 -39.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 120.945 -1.097 . . . . 0.0 108.447 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.34 93.4 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.588 -0.695 . . . . 0.0 109.795 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.94 -45.21 93.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.041 -1.037 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.3 mt -68.66 -40.0 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.269 -0.894 . . . . 0.0 109.416 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.88 -40.01 72.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.02 -1.05 . . . . 0.0 110.16 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.04 -35.16 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.65 -50.03 74.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.182 -0.949 . . . . 0.0 110.297 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.11 -23.15 48.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.131 -0.981 . . . . 0.0 110.836 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.173 -0.955 . . . . 0.0 111.714 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 44.0 p90 -108.12 -31.4 7.94 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.839 -1.163 . . . . 0.0 110.964 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t -61.82 -40.01 93.76 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.107 -0.995 . . . . 0.0 111.572 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.84 6.45 62.14 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.957 -1.089 . . . . 0.0 111.697 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -69.92 -40.09 75.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.391 -1.652 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 15.2 pt-20 -156.44 160.0 39.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.925 -1.109 . . . . 0.0 109.789 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.12 -167.48 39.28 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.46 136.43 34.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -1.17 . . . . 0.0 109.346 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -74.32 -10.75 59.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.278 -0.889 . . . . 0.0 109.449 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.99 -30.31 62.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.326 -0.859 . . . . 0.0 109.208 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -129.5 158.94 37.83 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.594 -0.691 . . . . 0.0 109.794 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD23 ' OE1' ' A' ' 31' ' ' GLU . 75.2 mt -120.41 127.92 52.72 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.783 -0.573 . . . . 0.0 109.841 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 29' ' ' LYS . 57.7 tttp -99.32 160.1 14.52 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' LYS . 81.5 mttt -39.96 -44.43 1.7 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.675 -0.64 . . . . 0.0 110.573 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -60.09 -42.46 94.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.029 . . . . 0.0 110.811 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' OE1' HD23 ' A' ' 27' ' ' LEU . 80.5 mt-10 -69.98 -39.99 75.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.703 -1.248 . . . . 0.0 109.271 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.32 -38.84 91.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.024 -1.048 . . . . 0.0 108.562 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -57.3 -39.98 76.9 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 51.6 tp10 -68.61 -40.06 80.58 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.742 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 18.0 tp -59.99 -50.49 73.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 109.993 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.527 -0.733 . . . . 0.0 109.893 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.94 -24.27 44.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.918 -1.114 . . . . 0.0 110.72 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -86.51 -45.94 10.63 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.839 -1.163 . . . . 0.0 110.223 -178.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.99 -42.76 18.92 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.894 -1.128 . . . . 0.0 108.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -108.92 67.26 0.65 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -74.25 -68.13 0.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.046 . . . . 0.0 109.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.77 -19.52 6.75 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.585 -0.697 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.07 -40.02 88.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.921 . . . . 0.0 108.707 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD22 ' NE1' ' X' ' 7' ' ' TRP . 1.2 mt -130.02 -153.66 0.58 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -49.19 133.31 19.2 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.17 -0.956 . . . . 0.0 109.989 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -102.54 141.44 35.35 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 52' ' ' VAL . 42.4 mm -114.12 114.62 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 CA-C-O 121.527 0.68 . . . . 0.0 110.246 -177.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -122.61 -11.59 8.23 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -122.91 152.03 41.2 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.0 pt20 -74.38 -21.48 59.64 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -43.81 94.93 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.582 -0.699 . . . . 0.0 110.225 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 24.8 t -60.41 -49.5 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 t -60.95 -41.49 89.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.502 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.2 t0 -68.8 -42.25 77.56 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.166 -1.013 . . . . 0.0 109.204 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.62 -39.19 77.33 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 52' ' ' VAL . 48.6 t -70.03 -35.89 66.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.608 ' O ' ' N ' ' A' ' 61' ' ' ASP . 42.3 mmm -70.99 -39.98 72.13 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.25 -30.5 69.46 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 50.6 m -67.19 -39.95 86.45 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.974 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -105.87 -53.38 2.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.226 -0.921 . . . . 0.0 108.902 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.9 t0 -81.18 56.45 2.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.79 2.09 2.82 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.6 m-20 -74.61 -35.69 62.96 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 11.28 84.48 Favored Glycine 0 N--CA 1.482 1.744 0 N-CA-C 106.587 -2.605 . . . . 0.0 106.587 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -75.56 0.95 15.6 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.17 30.89 77.7 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 107.902 -2.079 . . . . 0.0 107.902 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.74 149.64 35.91 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.477 -1.013 . . . . 0.0 111.462 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.78 119.04 21.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.515 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 36.8 t0 -80.46 170.0 16.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.481 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 19.2 p90 -57.93 -39.39 77.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.134 -0.978 . . . . 0.0 108.413 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.1 tp-100 -60.04 -40.01 87.88 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.123 -0.985 . . . . 0.0 108.441 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.25 -39.39 92.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.005 -1.059 . . . . 0.0 108.99 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.95 -36.98 78.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.459 -0.776 . . . . 0.0 109.078 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' B' ' 81' ' ' THR . 7.0 mmt -59.66 -38.81 82.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.28 -0.888 . . . . 0.0 109.446 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.1 68.44 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.933 -1.104 . . . . 0.0 110.435 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 80' ' ' VAL . 48.0 t80 -59.94 -43.46 94.95 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.787 -1.196 . . . . 0.0 108.727 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.434 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.8 OUTLIER -59.97 -42.02 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.39 -40.12 89.74 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.304 0.574 . . . . 0.0 109.553 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.469 ' HB3' HG23 ' X' ' 10' ' ' ILE . 30.4 mtm -64.52 -45.61 86.45 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.09 -1.044 . . . . 0.0 110.55 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 76' ' ' PHE . 1.1 t -80.16 -30.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.6 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' B' ' 74' ' ' MET . 94.9 m -69.7 -38.42 76.95 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.474 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 p -75.26 -41.33 57.61 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.925 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.1 96.95 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.077 -1.014 . . . . 0.0 109.923 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 26.7 m -67.45 -40.48 85.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.162 -0.962 . . . . 0.0 109.242 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -62.57 -40.05 95.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.406 -0.809 . . . . 0.0 110.658 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 88' ' ' PHE . 76.6 mm-40 -66.0 -25.6 67.15 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.382 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -47.23 -13.51 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.737 -1.227 . . . . 0.0 110.086 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 86' ' ' GLU . 52.3 t80 -101.01 129.4 46.85 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 108.881 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.14 64.39 1.86 Allowed 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.606 0.717 . . . . 0.0 109.733 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.0 -40.3 88.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.639 -0.663 . . . . 0.0 109.325 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.274 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.66 -39.64 84.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.274 -0.891 . . . . 0.0 110.605 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 tp -48.88 -24.86 1.61 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 108.582 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.12 -49.99 75.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.468 -0.77 . . . . 0.0 109.674 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 19.5 pttt -69.99 -30.02 67.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.536 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -77.81 -39.97 42.0 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.415 -0.803 . . . . 0.0 110.423 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtp -59.99 -43.16 95.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.65 -1.281 . . . . 0.0 109.999 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 m -60.73 -39.99 83.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.011 -1.056 . . . . 0.0 108.458 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.8 -43.26 93.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.671 -0.643 . . . . 0.0 109.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.07 -45.11 93.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.067 -1.021 . . . . 0.0 108.952 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.67 -40.04 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.391 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.96 -39.99 72.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.033 -1.042 . . . . 0.0 110.106 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 9' ' ' ALA . 49.2 t -59.99 -35.38 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.59 -49.95 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.198 -0.938 . . . . 0.0 110.382 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -78.17 -23.16 47.77 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.158 -0.964 . . . . 0.0 110.805 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.04 -41.31 91.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 111.754 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 44.2 p90 -108.17 -31.45 7.9 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 120.884 -1.135 . . . . 0.0 110.911 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.9 t -61.81 -39.98 93.68 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.112 -0.993 . . . . 0.0 111.637 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.9 6.58 61.9 Favored Glycine 0 N--CA 1.495 2.621 0 C-N-CA 120.059 -1.067 . . . . 0.0 111.686 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -70.02 -40.03 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.535 -1.568 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 15.3 pt-20 -156.53 160.02 39.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.777 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.02 -167.49 38.89 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.4 136.4 34.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.222 -1.164 . . . . 0.0 109.323 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -74.33 -10.8 59.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.43 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -73.8 -30.41 62.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.343 -0.848 . . . . 0.0 109.215 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -129.57 158.83 38.19 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.591 -0.693 . . . . 0.0 109.825 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.502 HD23 ' OE1' ' B' ' 31' ' ' GLU . 73.0 mt -120.35 127.96 52.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.815 -0.553 . . . . 0.0 109.832 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' B' ' 29' ' ' LYS . 57.2 tttp -99.3 159.98 14.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 28' ' ' LYS . 82.2 mttt -39.79 -44.51 1.61 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.644 -0.66 . . . . 0.0 110.554 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 66.4 m -60.04 -42.58 94.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.815 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.502 ' OE1' HD23 ' B' ' 27' ' ' LEU . 80.4 mt-10 -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.742 -1.224 . . . . 0.0 109.24 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.28 -38.87 91.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.014 -1.054 . . . . 0.0 108.6 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -57.19 -39.91 76.33 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' B' ' 38' ' ' ASN . 51.6 tp10 -68.79 -40.05 79.85 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.685 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 18.4 tp -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.267 -0.895 . . . . 0.0 110.047 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.1 mt -69.95 -40.04 78.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 O-C-N 121.501 -0.749 . . . . 0.0 109.838 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -78.97 -24.3 43.95 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.993 -1.067 . . . . 0.0 110.695 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -86.44 -45.91 10.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.906 -1.121 . . . . 0.0 110.236 -178.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -82.07 -42.42 19.23 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.848 -1.158 . . . . 0.0 108.985 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -109.3 67.39 0.65 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -74.25 -68.33 0.54 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.054 -1.029 . . . . 0.0 109.676 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -121.7 -19.55 6.78 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 109.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.01 -40.04 87.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.182 -0.949 . . . . 0.0 108.715 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.43 HD22 ' NE1' ' Y' ' 7' ' ' TRP . 1.2 mt -129.97 -153.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -49.22 133.51 19.11 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.152 -0.968 . . . . 0.0 109.975 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.68 141.47 35.44 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.431 ' CD1' HG11 ' B' ' 52' ' ' VAL . 42.6 mm -114.19 114.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 CA-C-O 121.59 0.71 . . . . 0.0 110.264 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.59 -11.68 8.23 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -122.78 152.16 40.92 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.514 0.673 . . . . 0.0 110.839 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' B' ' 54' ' ' ASP . 13.9 pt20 -74.68 -21.45 59.39 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.7 pt-20 -60.05 -43.76 95.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.635 -0.665 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 47' ' ' ILE . 26.1 t -60.36 -49.5 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.01 -41.56 89.66 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.2 t0 -68.75 -42.17 77.9 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.229 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -69.71 -39.15 77.04 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.0 t -70.04 -35.86 65.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 42.3 mmm -70.95 -40.02 72.24 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.31 -30.49 69.53 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 53.1 m -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.96 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.0 mt -105.9 -53.35 2.66 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.264 -0.897 . . . . 0.0 108.93 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 60.7 t0 -81.25 56.41 2.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -68.82 2.12 2.82 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.6 m-20 -74.55 -35.87 63.11 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.3 11.34 84.38 Favored Glycine 0 N--CA 1.482 1.757 0 N-CA-C 106.599 -2.601 . . . . 0.0 106.599 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -75.68 1.06 15.57 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.01 31.04 78.25 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -144.78 149.79 36.09 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.488 -1.007 . . . . 0.0 111.378 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 118.9 21.47 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.512 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 36.7 t0 -80.27 169.96 17.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.032 -1.043 . . . . 0.0 109.514 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 19.2 p90 -58.0 -39.25 77.78 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 6.1 tp-100 -60.0 -40.01 87.77 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.151 -0.968 . . . . 0.0 108.504 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.32 -39.31 92.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.06 -1.025 . . . . 0.0 108.939 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.07 -36.89 78.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.449 -0.782 . . . . 0.0 109.08 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.407 ' CE ' HG21 ' A' ' 81' ' ' THR . 6.9 mmt -59.62 -38.68 81.99 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.468 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.81 -28.85 67.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.913 -1.117 . . . . 0.0 110.466 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.431 ' O ' HG23 ' B' ' 80' ' ' VAL . 47.2 t80 -60.01 -43.49 95.21 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.735 -1.228 . . . . 0.0 108.609 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.438 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -60.03 -42.0 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -60.16 -39.99 88.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.296 0.569 . . . . 0.0 109.635 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.411 ' HB3' HG23 ' Y' ' 10' ' ' ILE . 29.9 mtm -64.83 -45.56 85.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.148 -1.021 . . . . 0.0 110.461 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 76' ' ' PHE . 1.1 t -80.23 -29.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 C-N-CA 118.859 -1.137 . . . . 0.0 109.587 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.407 HG21 ' CE ' ' A' ' 74' ' ' MET . 98.1 m -69.7 -38.44 76.95 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.128 -1.029 . . . . 0.0 108.385 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 p -75.21 -41.35 57.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.016 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.88 96.81 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.0 -1.062 . . . . 0.0 109.882 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 22.8 m -67.53 -40.43 85.06 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.265 -0.897 . . . . 0.0 109.27 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.67 -39.99 95.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.453 -0.779 . . . . 0.0 110.664 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' B' ' 88' ' ' PHE . 76.5 mm-40 -66.07 -25.59 67.1 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.226 -0.921 . . . . 0.0 111.381 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -47.12 -13.6 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.799 -1.188 . . . . 0.0 110.038 -179.216 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 86' ' ' GLU . 52.2 t80 -101.15 129.27 47.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 108.907 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 51.47 64.21 1.93 Allowed 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.688 0.756 . . . . 0.0 109.806 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.95 -40.61 89.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.585 -0.697 . . . . 0.0 109.319 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.277 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.04 -39.98 87.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.127 -0.983 . . . . 0.0 108.85 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 49.6 p -68.89 -38.22 79.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.261 -0.899 . . . . 0.0 108.862 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -72.2 154.0 41.28 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.455 -0.778 . . . . 0.0 109.092 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.475 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.7 pp -80.68 -165.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.249 -0.907 . . . . 0.0 109.202 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.97 43.54 0.07 Allowed 'General case' 0 C--N 1.284 -2.27 0 CA-C-O 122.002 0.906 . . . . 0.0 109.468 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.475 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -60.0 -24.63 64.62 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.57 -38.15 80.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.602 -1.312 . . . . 0.0 107.948 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.02 -36.23 76.79 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 79' ' ' MET . 81.9 mt -59.98 -40.01 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.336 -0.852 . . . . 0.0 110.056 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 10.0 mp -59.43 -39.71 84.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.845 -1.16 . . . . 0.0 108.6 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.431 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.955 . . . . 0.0 108.884 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 47.5 p -68.84 -38.35 79.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 108.838 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.95 153.64 41.69 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.038 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.467 ' C ' ' H ' ' Y' ' 7' ' ' TRP . 1.7 pp -80.59 -166.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.276 -0.89 . . . . 0.0 109.147 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.69 43.71 0.07 Allowed 'General case' 0 C--N 1.283 -2.293 0 CA-C-O 122.051 0.929 . . . . 0.0 109.542 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.06 -24.61 64.71 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -59.59 -38.23 80.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.565 -1.335 . . . . 0.0 107.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -60.01 -36.13 76.54 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' B' ' 79' ' ' MET . 81.0 mt -60.07 -39.91 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.321 -0.862 . . . . 0.0 110.023 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.77 -38.99 83.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.845 -1.159 . . . . 0.0 108.761 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.562 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.221 0.534 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.26 -40.02 78.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.121 -0.987 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.98 -21.9 61.83 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.014 -1.054 . . . . 0.0 110.333 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -59.92 -45.9 91.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.862 -1.149 . . . . 0.0 109.792 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 8.4 ptmt -70.09 -31.64 69.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.855 -1.153 . . . . 0.0 109.544 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -73.86 -39.05 64.24 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.216 -0.927 . . . . 0.0 110.442 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.4 tpp -59.98 -46.25 90.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 110.131 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.96 -40.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.592 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.32 95.3 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.733 -0.604 . . . . 0.0 109.811 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.54 -40.71 93.21 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.012 -1.055 . . . . 0.0 109.067 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.35 -43.09 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.185 -0.947 . . . . 0.0 109.023 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -71.02 -40.02 72.0 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 109.586 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.98 -32.66 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.06 -46.3 89.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -71.73 -31.59 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.532 -0.73 . . . . 0.0 111.809 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.99 -42.71 94.82 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.761 -1.212 . . . . 0.0 111.688 -177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.531 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 78.4 m-85 -97.48 -30.9 12.63 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.785 -1.197 . . . . 0.0 110.331 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.5 t -60.57 -40.0 90.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.84 14.81 57.68 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -60.06 -40.16 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.236 . . . . 0.0 109.308 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -167.63 97.28 0.47 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.4 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.38 -160.55 0.59 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 26' ' ' LYS . 96.0 m-20 50.1 40.57 21.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.168 -1.196 . . . . 0.0 109.417 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.75 -38.1 89.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.868 . . . . 0.0 109.821 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.71 -39.79 73.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.577 -0.702 . . . . 0.0 111.125 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' ASP . 57.7 mttm -128.99 162.25 28.03 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.101 -0.999 . . . . 0.0 110.568 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 98.7 mt -104.98 124.07 48.87 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.442 -0.786 . . . . 0.0 110.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -84.92 157.31 20.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -50.82 -39.94 54.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.004 -1.06 . . . . 0.0 109.552 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -42.43 94.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.21 -40.0 82.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.408 -0.808 . . . . 0.0 109.111 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.97 -39.12 88.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -56.16 -39.93 73.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 108.882 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.14 -39.94 82.57 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.821 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD21 ' CE1' ' A' ' 73' ' ' PHE . 21.3 tp -60.02 -50.24 74.51 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.557 -0.715 . . . . 0.0 110.483 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG22 HD11 ' A' ' 47' ' ' ILE . 63.8 mt -70.51 -39.99 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.027 -1.045 . . . . 0.0 110.322 -178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -80.5 -24.0 39.73 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.864 -1.147 . . . . 0.0 111.553 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -89.52 -26.16 21.02 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.827 -1.171 . . . . 0.0 111.242 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -97.21 -27.82 14.36 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.796 -1.19 . . . . 0.0 108.51 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' GLU . 33.3 mt -117.53 71.41 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -52.74 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.93 -1.106 . . . . 0.0 109.706 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -128.87 11.59 6.12 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.476 -0.765 . . . . 0.0 109.428 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.66 -8.09 53.22 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.274 -0.891 . . . . 0.0 109.983 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.28 -67.81 0.2 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.15 -0.969 . . . . 0.0 109.373 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' A' ' 40' ' ' LEU . 92.0 mt-10 -120.72 138.54 53.92 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.638 -0.664 . . . . 0.0 110.911 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 47' ' ' ILE . 87.8 tt0 -118.98 122.63 42.65 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -109.76 120.2 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 122.211 1.005 . . . . 0.0 109.917 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -135.71 -9.99 2.11 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.29 147.05 48.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.62 -0.675 . . . . 0.0 110.427 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASP . 14.5 pt20 -73.75 -18.82 60.93 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -40.06 87.84 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.694 -0.629 . . . . 0.0 110.342 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 37.8 t -65.57 -49.85 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.7 t -60.27 -40.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.417 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 56.6 t0 -68.18 -43.51 77.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.439 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.94 -36.72 75.53 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.907 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.6 t -69.68 -34.98 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.4 mmt -60.96 -40.0 91.68 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.52 -29.88 69.39 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.5 m -71.74 -40.02 69.67 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 76' ' ' PHE . 6.7 mp -101.38 -56.71 2.24 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.299 -0.876 . . . . 0.0 108.688 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.7 t0 -78.71 55.26 1.65 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.43 2.67 2.18 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' ASP . 75.6 m-20 -84.21 -31.66 24.94 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.2 10.06 78.71 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 51.1 p30 -84.47 2.0 42.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.22 33.2 84.45 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -141.82 152.74 43.96 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.391 -1.064 . . . . 0.0 111.12 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 119.56 24.74 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' HZ2' ' A' ' 26' ' ' LYS . 75.3 m-20 -79.01 169.82 17.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.396 -0.815 . . . . 0.0 109.379 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -58.15 -40.0 80.24 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 7.2 tt0 -60.81 -40.11 91.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 44.0 mt-10 -64.69 -39.97 94.59 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.456 -0.778 . . . . 0.0 109.369 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CE1' HD21 ' A' ' 35' ' ' LEU . 2.5 t80 -59.94 -39.94 87.26 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.4 -0.813 . . . . 0.0 109.614 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.9 mmm -60.02 -37.02 78.52 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.66 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.71 76.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.026 -1.047 . . . . 0.0 110.674 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HB2' HD21 ' A' ' 60' ' ' LEU . 66.2 t80 -59.96 -40.03 87.64 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 109.313 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -60.89 -44.27 97.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 108.873 179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.7 p -60.07 -40.62 90.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.496 -0.752 . . . . 0.0 109.679 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.3 ttp -65.36 -43.56 90.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.35 -0.844 . . . . 0.0 110.195 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.1 t -80.39 -29.61 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.041 -1.037 . . . . 0.0 109.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.3 m -64.99 -40.05 94.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.197 -0.94 . . . . 0.0 108.857 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.2 p -71.52 -42.66 67.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.644 -0.66 . . . . 0.0 110.859 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.08 67.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.822 -1.173 . . . . 0.0 109.838 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 -49.64 76.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.264 -0.897 . . . . 0.0 109.141 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.34 -45.79 92.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.17 -40.2 89.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.0 108.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -41.3 94.95 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.637 -0.664 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -42.33 94.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.194 -0.941 . . . . 0.0 109.943 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -97.93 73.17 2.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -64.48 -44.46 90.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.117 -0.99 . . . . 0.0 110.14 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.203 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.75 -39.95 76.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.201 -0.937 . . . . 0.0 109.582 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.16 -21.83 62.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 0.0 110.31 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.9 -46.07 90.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.923 -1.11 . . . . 0.0 109.741 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.2 ptmt -70.0 -31.63 69.41 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.969 -1.082 . . . . 0.0 109.537 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -73.84 -39.32 64.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 0.0 110.403 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.1 tpp -60.03 -46.02 90.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.985 -1.072 . . . . 0.0 110.068 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -60.01 -39.94 81.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.082 -1.011 . . . . 0.0 108.604 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.33 95.14 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.689 -0.632 . . . . 0.0 109.8 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.58 -40.56 92.89 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.085 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.68 -42.65 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 109.031 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -71.25 -40.02 71.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.117 -0.989 . . . . 0.0 109.531 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.0 -32.77 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.0 -46.46 89.4 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.583 -0.698 . . . . 0.0 109.391 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -71.47 -31.82 67.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 111.846 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -59.96 -42.55 94.35 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.765 -1.209 . . . . 0.0 111.732 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.521 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 78.5 m-85 -97.62 -30.72 12.68 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.791 -1.193 . . . . 0.0 110.286 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -60.75 -39.97 90.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 109.946 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.87 14.72 57.94 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -59.95 -40.14 87.98 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.058 -1.26 . . . . 0.0 109.263 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.61 97.5 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.448 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 -160.95 0.48 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' B' ' 26' ' ' LYS . 96.1 m-20 50.54 40.49 23.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -1.169 . . . . 0.0 109.351 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.85 -37.96 89.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.77 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -70.79 -39.82 72.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.633 -0.667 . . . . 0.0 111.239 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' B' ' 69' ' ' ASP . 58.1 mttm -128.89 162.03 28.47 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.111 -0.993 . . . . 0.0 110.473 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.87 124.21 49.07 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.45 -0.781 . . . . 0.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -85.02 156.9 20.91 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.115 -0.991 . . . . 0.0 108.44 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.61 -40.01 51.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.937 -1.102 . . . . 0.0 109.548 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 43.7 t -60.05 -41.85 93.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.84 -1.163 . . . . 0.0 109.135 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.58 -39.98 80.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.374 -0.829 . . . . 0.0 109.047 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.2 -38.97 88.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.177 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -56.12 -39.92 72.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.155 -0.966 . . . . 0.0 108.98 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -68.05 -40.03 82.91 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.321 -0.952 . . . . 0.0 108.832 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' B' ' 73' ' ' PHE . 20.9 tp -60.0 -49.91 75.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.537 -0.727 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.526 HG22 HD11 ' B' ' 47' ' ' ILE . 61.0 mt -70.85 -40.0 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.057 -1.027 . . . . 0.0 110.339 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -80.38 -23.99 40.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.81 -1.181 . . . . 0.0 111.428 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -89.63 -25.95 21.01 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.813 -1.179 . . . . 0.0 111.304 -178.241 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -97.4 -27.99 14.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.774 -1.204 . . . . 0.0 108.446 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' B' ' 45' ' ' GLU . 33.3 mt -117.21 71.37 0.8 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -52.84 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.142 . . . . 0.0 109.763 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -128.69 11.05 6.15 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.507 -0.745 . . . . 0.0 109.461 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -89.02 -8.28 54.35 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.902 . . . . 0.0 110.062 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.13 -67.88 0.2 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.046 -1.034 . . . . 0.0 109.298 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.51 ' O ' ' O ' ' B' ' 40' ' ' LEU . 90.2 mt-10 -120.66 138.77 53.76 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.657 -0.652 . . . . 0.0 110.95 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.541 ' C ' HD13 ' B' ' 47' ' ' ILE . 88.2 tt0 -119.29 122.73 42.56 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.541 HD13 ' C ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -109.95 120.07 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 122.25 1.024 . . . . 0.0 109.762 -178.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -135.5 -10.23 2.16 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.21 147.31 48.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.618 -0.676 . . . . 0.0 110.417 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -74.02 -18.79 60.8 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.0 87.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.708 -0.62 . . . . 0.0 110.213 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.412 ' O ' HG23 ' B' ' 56' ' ' VAL . 38.9 t -65.52 -49.98 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.28 -40.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.374 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -68.04 -43.4 78.82 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -70.03 -36.91 75.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.327 -0.858 . . . . 0.0 108.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 52' ' ' VAL . 45.4 t -69.45 -34.97 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.603 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.5 mmt -61.0 -39.96 91.7 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -60.69 -29.48 69.35 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.1 m -72.02 -40.0 68.75 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.444 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 6.7 mp -101.32 -56.82 2.21 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.281 -0.887 . . . . 0.0 108.64 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' B' ' 57' ' ' MET . 25.5 t0 -78.42 55.2 1.55 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.42 2.51 2.29 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' B' ' 61' ' ' ASP . 75.4 m-20 -83.84 -31.75 25.63 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.27 78.09 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.744 -2.142 . . . . 0.0 107.744 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 51.5 p30 -84.8 2.09 43.83 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.04 33.24 84.89 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -141.56 153.01 44.57 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.399 -1.059 . . . . 0.0 111.01 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.07 119.26 23.89 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' B' ' 26' ' ' LYS . 75.9 m-20 -78.84 169.92 17.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.438 -0.789 . . . . 0.0 109.383 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 25.4 p90 -58.57 -39.97 81.77 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 7.1 tt0 -60.72 -40.01 90.75 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 43.3 mt-10 -64.64 -39.99 94.67 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.335 -0.853 . . . . 0.0 109.492 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.436 ' CE1' HD21 ' B' ' 35' ' ' LEU . 2.4 t80 -59.95 -39.87 87.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.384 -0.822 . . . . 0.0 109.6 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.5 mmm -60.04 -37.49 79.97 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.18 -33.87 77.03 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.996 -1.065 . . . . 0.0 110.756 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 60' ' ' LEU . 65.2 t80 -59.99 -39.97 87.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.897 -1.127 . . . . 0.0 109.246 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.86 -44.32 97.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.362 -0.836 . . . . 0.0 108.848 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 81.9 p -60.02 -41.2 91.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.502 -0.749 . . . . 0.0 109.756 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.2 ttp -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.591 -0.844 . . . . 0.0 110.296 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' B' ' 76' ' ' PHE . 16.8 t -80.66 -29.27 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.032 -1.043 . . . . 0.0 109.265 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.6 m -65.05 -39.97 94.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.222 -0.924 . . . . 0.0 108.822 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 21.9 p -71.59 -42.88 67.2 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.887 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.1 67.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.841 -1.162 . . . . 0.0 109.857 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.71 -49.46 76.36 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.215 -0.928 . . . . 0.0 109.146 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.26 -45.88 91.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 0.0 109.627 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.14 -40.15 88.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 108.964 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.66 -41.37 94.86 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.691 -0.631 . . . . 0.0 109.814 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.18 -0.95 . . . . 0.0 110.037 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -98.13 73.28 2.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.258 -0.901 . . . . 0.0 109.254 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -64.53 -44.25 91.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.494 ' OE2' ' N ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.141 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.289 0.566 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -60.07 -39.97 87.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 109.694 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.453 ' O ' ' O ' ' X' ' 4' ' ' LYS . 67.5 p 44.35 -161.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.362 -0.836 . . . . 0.0 110.275 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' X' ' 3' ' ' THR . 67.9 mttm 50.56 176.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.528 -0.733 . . . . 0.0 109.756 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.856 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.8 pp -60.8 -50.0 82.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.181 -0.949 . . . . 0.0 108.78 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.856 ' N ' HD12 ' X' ' 5' ' ' ILE . 1.2 m-20 162.07 79.62 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.657 -0.652 . . . . 0.0 109.745 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -60.21 -40.41 90.03 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.425 ' C ' ' ND2' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -59.99 -41.08 91.26 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.603 -0.686 . . . . 0.0 112.164 -178.151 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.98 -49.62 76.95 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.706 -1.247 . . . . 0.0 110.158 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.92 -40.18 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.907 -1.121 . . . . 0.0 109.964 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 tp -60.82 -40.08 91.4 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.221 -0.924 . . . . 0.0 109.356 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.562 -179.878 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.269 0.557 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.1 -39.97 88.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.268 -0.895 . . . . 0.0 109.75 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.446 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 67.5 p 44.54 -161.74 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.289 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' Y' ' 3' ' ' THR . 66.6 mttm 50.81 176.73 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.553 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.867 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.8 pp -60.83 -49.94 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.146 -0.971 . . . . 0.0 108.79 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.867 ' N ' HD12 ' Y' ' 5' ' ' ILE . 1.2 m-20 162.08 79.81 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.617 -0.677 . . . . 0.0 109.799 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.487 ' CZ2' ' CD ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -60.5 -40.26 90.73 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.419 ' C ' ' ND2' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -59.95 -41.12 91.18 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.495 -0.753 . . . . 0.0 112.208 -178.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -59.99 -49.49 77.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.815 -1.178 . . . . 0.0 110.195 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 5.5 pt -79.73 -40.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.956 -1.09 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.96 -40.02 87.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.728 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.551 -179.692 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 1' ' ' SER . 12.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.05 -39.95 75.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.159 -0.963 . . . . 0.0 110.495 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.0 -23.66 66.61 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.808 -1.182 . . . . 0.0 110.357 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 86.5 tt0 -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.926 -1.109 . . . . 0.0 110.146 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -36.12 63.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.888 -1.133 . . . . 0.0 109.319 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.33 93.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.3 ttm -60.03 -40.23 88.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.239 -0.913 . . . . 0.0 109.825 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.98 -40.21 82.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -59.98 -47.52 85.46 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.528 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.21 -42.15 94.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.972 -1.08 . . . . 0.0 109.424 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.48 -44.0 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.95 -1.094 . . . . 0.0 109.49 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -70.02 -40.03 75.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.792 -1.192 . . . . 0.0 109.747 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 9' ' ' ALA . 50.1 t -58.98 -32.79 48.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -60.02 -49.74 76.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.013 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.16 -35.23 73.86 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.768 -0.582 . . . . 0.0 112.371 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -59.96 -47.94 83.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.669 -1.27 . . . . 0.0 111.946 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -92.22 -35.97 13.52 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.683 -1.261 . . . . 0.0 110.711 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.0 p -63.58 -40.06 96.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.847 -1.158 . . . . 0.0 110.12 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.44 -2.6 82.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -66.38 -40.07 89.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.952 -1.322 . . . . 0.0 109.559 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 87.6 tt0 -152.23 149.3 28.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.203 -0.936 . . . . 0.0 109.194 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.0 -159.48 53.37 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.56 141.6 34.93 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.4 -1.059 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -79.99 -10.74 59.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.366 -0.833 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -73.51 -36.78 65.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.079 -1.013 . . . . 0.0 110.558 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.64 157.91 40.79 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.198 -0.939 . . . . 0.0 109.824 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.18 138.06 37.77 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.378 -0.826 . . . . 0.0 109.327 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 34.9 ttpt -107.55 151.44 25.59 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 13.4 ptpt -39.85 -44.45 1.63 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.46 -0.775 . . . . 0.0 110.567 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.8 m -61.76 -40.37 94.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.969 -1.082 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 63.8 mt-10 -70.03 -40.01 75.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.649 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.35 -40.06 95.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.424 -0.798 . . . . 0.0 109.081 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -55.14 -39.98 70.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.059 -1.026 . . . . 0.0 108.69 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -68.18 -39.98 82.39 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.4 -0.813 . . . . 0.0 108.835 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.02 -49.97 75.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.73 -0.607 . . . . 0.0 110.206 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.83 -39.96 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.206 -0.934 . . . . 0.0 110.415 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -80.91 -25.53 37.43 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.943 -1.098 . . . . 0.0 111.434 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -89.47 -29.23 19.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.47 -1.394 . . . . 0.0 111.417 -178.21 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' HD23 ' A' ' 40' ' ' LEU . 76.0 mm-40 -101.23 -16.34 17.02 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.896 -1.128 . . . . 0.0 111.326 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.745 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -161.98 64.35 0.24 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.555 -1.341 . . . . 0.0 110.596 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.82 -68.94 0.62 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.03 -1.044 . . . . 0.0 109.984 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 51.8 p-80 -91.32 -9.42 45.02 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.17 -0.956 . . . . 0.0 109.868 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.1 m-85 -69.22 -39.88 78.3 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.135 -0.978 . . . . 0.0 108.428 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -129.04 -98.88 0.35 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -99.1 133.12 43.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.496 -0.752 . . . . 0.0 109.475 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.64 121.5 34.13 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.479 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.7 mm -96.71 113.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-O 122.096 0.95 . . . . 0.0 110.007 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.599 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -130.08 -8.84 4.34 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -122.15 152.06 40.3 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.607 0.718 . . . . 0.0 110.379 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -75.7 -21.07 57.91 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 9.8 pt-20 -60.08 -42.85 95.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.488 -0.757 . . . . 0.0 110.045 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 47' ' ' ILE . 19.1 t -62.51 -49.99 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.5 t -60.72 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.565 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -67.75 -42.69 81.38 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 118.394 -1.322 . . . . 0.0 109.04 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -70.58 -40.0 73.55 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.98 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.9 -35.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 CA-C-O 121.432 0.634 . . . . 0.0 109.31 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.8 tpt -72.01 -43.75 64.55 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.1 -31.0 69.63 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.9 m -65.01 -33.68 76.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.807 -0.558 . . . . 0.0 110.407 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.546 HD21 ' SD ' ' A' ' 79' ' ' MET . 4.0 mm? -103.85 -36.61 7.75 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 65.9 t0 -81.94 54.06 2.36 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.19 -3.79 4.31 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.7 m-20 -75.59 -35.96 60.43 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.96 82.31 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -82.49 1.17 39.03 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.545 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 70.04 28.96 71.02 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.56 -1.816 . . . . 0.0 108.56 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.3 mt-10 -145.39 158.59 43.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.307 -1.113 . . . . 0.0 110.273 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.69 119.98 23.21 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -80.03 170.02 17.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -0.765 . . . . 0.0 109.983 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.6 p90 -55.88 -40.66 73.28 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.551 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 63.5 tt0 -60.02 -42.87 95.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 108.558 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 60' ' ' LEU . 48.2 mt-10 -66.42 -40.06 89.31 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.449 -0.782 . . . . 0.0 109.458 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 2.1 t80 -59.98 -37.29 79.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.371 -0.83 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 14.1 mmt -60.01 -39.41 85.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.193 -0.942 . . . . 0.0 109.512 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.44 -29.08 69.14 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.991 -1.068 . . . . 0.0 110.19 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.92 -1.113 . . . . 0.0 108.674 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -65.49 -41.12 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.8 m -59.93 -45.61 92.05 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.405 0.622 . . . . 0.0 109.658 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.546 ' SD ' HD21 ' A' ' 60' ' ' LEU . 45.3 mtp -61.15 -46.23 91.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.235 -0.916 . . . . 0.0 110.315 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -81.37 -30.47 11.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.463 -0.773 . . . . 0.0 109.919 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' VAL . 86.8 m -70.06 -39.94 75.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.19 -0.944 . . . . 0.0 108.597 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 78' ' ' SER . 19.6 m -70.5 -39.99 73.82 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.974 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.16 -40.03 86.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.858 -1.152 . . . . 0.0 109.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.8 t -63.29 -41.9 99.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.294 -0.879 . . . . 0.0 109.591 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -59.92 -44.76 94.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.283 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -62.82 -40.0 96.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.99 -40.08 87.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.157 -0.964 . . . . 0.0 109.587 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.99 122.97 14.3 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.371 1.081 . . . . 0.0 108.94 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -148.06 -163.04 1.68 Allowed 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.98 -40.06 87.8 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.206 -0.933 . . . . 0.0 109.649 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.382 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' B' ' 1' ' ' SER . 10.7 t . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.04 -40.02 75.39 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.002 . . . . 0.0 110.433 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.232 . . . . 0.0 110.339 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.462 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.02 -50.52 73.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.853 -1.154 . . . . 0.0 110.011 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -36.29 65.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.922 -1.111 . . . . 0.0 109.437 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.91 93.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.04 -1.037 . . . . 0.0 109.4 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.0 ttm -60.01 -40.31 88.79 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.0 109.842 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.442 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -60.02 -47.14 87.09 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.604 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.99 -41.74 97.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.095 -1.003 . . . . 0.0 109.409 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.59 -44.07 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.975 -1.078 . . . . 0.0 109.404 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -70.03 -39.96 75.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.775 -1.203 . . . . 0.0 109.729 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 9' ' ' ALA . 48.4 t -59.02 -32.69 48.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -60.01 -49.93 75.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.373 -0.829 . . . . 0.0 108.929 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.03 -35.21 74.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.86 -0.525 . . . . 0.0 112.412 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.0 -47.94 83.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.0 112.017 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -92.26 -35.92 13.52 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.702 -1.249 . . . . 0.0 110.699 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 76.2 p -63.55 -40.0 95.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.924 -1.11 . . . . 0.0 110.159 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.81 -2.43 81.49 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -66.33 -39.99 89.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.965 -1.315 . . . . 0.0 109.508 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 88.0 tt0 -152.13 149.45 28.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.207 -0.933 . . . . 0.0 109.225 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.84 -159.55 53.27 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.4 141.59 35.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -1.032 . . . . 0.0 110.221 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -80.1 -10.67 59.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.315 -0.866 . . . . 0.0 110.317 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -73.44 -37.1 65.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.084 -1.01 . . . . 0.0 110.528 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -129.63 157.82 41.03 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -100.02 138.01 37.68 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 109.374 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' B' ' 29' ' ' LYS . 35.0 ttpt -107.28 151.6 25.25 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 28' ' ' LYS . 13.4 ptpt -39.92 -44.12 1.63 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.465 -0.772 . . . . 0.0 110.512 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -62.01 -40.53 95.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.986 -1.071 . . . . 0.0 110.124 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 62.8 mt-10 -70.01 -40.03 75.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.118 -0.989 . . . . 0.0 108.686 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.31 -39.97 94.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.368 -0.832 . . . . 0.0 109.118 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -55.01 -40.03 69.73 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.014 -1.054 . . . . 0.0 108.622 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -68.27 -40.0 81.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.97 -49.99 75.52 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.2 mt -68.69 -39.98 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.001 . . . . 0.0 110.391 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -80.88 -25.45 37.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.943 -1.098 . . . . 0.0 111.431 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.6 OUTLIER -89.43 -29.68 18.86 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.436 -1.415 . . . . 0.0 111.318 -178.205 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.435 ' C ' HD23 ' B' ' 40' ' ' LEU . 76.4 mm-40 -101.01 -15.84 17.33 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.919 -1.113 . . . . 0.0 111.345 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.743 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.8 OUTLIER -162.38 64.02 0.22 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.45 -1.406 . . . . 0.0 110.711 179.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -79.65 -69.04 0.61 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.015 -1.053 . . . . 0.0 110.049 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.434 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.4 p-80 -91.0 -9.66 45.14 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.168 -0.957 . . . . 0.0 109.868 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.477 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 86.6 m-85 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 108.475 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.516 ' O ' ' NZ ' ' Y' ' 4' ' ' LYS . 16.8 mt -129.35 -99.15 0.34 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -98.84 133.31 43.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.401 -0.812 . . . . 0.0 109.477 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.73 121.6 34.29 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.2 mm -96.74 113.5 31.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-O 122.104 0.954 . . . . 0.0 109.955 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.614 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -130.1 -8.57 4.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -122.43 151.92 40.77 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.644 0.735 . . . . 0.0 110.321 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -75.6 -20.97 58.21 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 9.7 pt-20 -60.19 -42.92 96.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.546 -0.721 . . . . 0.0 110.121 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' B' ' 47' ' ' ILE . 19.3 t -62.47 -49.83 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' B' ' 57' ' ' MET . 4.5 t -60.83 -40.58 85.63 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.597 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.95 -42.53 80.8 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.366 -1.334 . . . . 0.0 108.959 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -70.66 -39.99 73.26 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.96 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -74.87 -35.33 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 121.46 0.647 . . . . 0.0 109.318 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.483 ' O ' ' N ' ' B' ' 61' ' ' ASP . 5.8 tpt -71.99 -43.74 64.61 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -31.09 69.6 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.447 ' C ' HD22 ' B' ' 60' ' ' LEU . 26.6 m -65.01 -33.71 76.69 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.739 -0.6 . . . . 0.0 110.372 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.539 HD21 ' SD ' ' B' ' 79' ' ' MET . 4.1 mm? -103.74 -36.89 7.7 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.0 t0 -81.74 53.93 2.28 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.2 -3.66 4.16 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -75.66 -35.84 60.3 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.64 9.79 82.57 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -82.56 1.27 38.84 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.87 28.98 71.24 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.4 mt-10 -145.33 158.45 43.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.303 -1.116 . . . . 0.0 110.267 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.57 120.05 23.45 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -80.01 169.98 17.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.479 -0.763 . . . . 0.0 109.979 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.5 p90 -56.09 -40.62 73.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.548 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.4 tt0 -60.02 -42.88 95.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 108.524 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 48.2 mt-10 -66.52 -39.91 88.87 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 2.1 t80 -60.03 -37.25 79.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.887 . . . . 0.0 109.36 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.8 mmt -59.93 -39.42 85.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.124 -0.985 . . . . 0.0 109.548 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . . . -66.47 -29.26 69.33 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.042 -1.036 . . . . 0.0 110.208 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -60.04 -41.37 92.12 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.916 -1.115 . . . . 0.0 108.73 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.2 OUTLIER -65.29 -41.13 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 20.4 m -59.98 -45.54 92.38 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.388 0.613 . . . . 0.0 109.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.539 ' SD ' HD21 ' B' ' 60' ' ' LEU . 49.4 mtp -61.18 -46.46 90.39 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.264 -0.897 . . . . 0.0 110.285 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.06 -30.58 11.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.492 -0.755 . . . . 0.0 109.935 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.506 ' N ' ' O ' ' B' ' 77' ' ' VAL . 96.2 m -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 108.649 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -70.62 -40.01 73.41 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.074 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.99 86.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.832 -1.168 . . . . 0.0 109.511 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.15 -42.02 99.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.883 . . . . 0.0 109.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -59.96 -44.52 94.38 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.01 -39.97 96.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -0.764 . . . . 0.0 109.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.06 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 0.0 109.641 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.08 123.01 14.47 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.349 1.071 . . . . 0.0 108.91 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -148.09 -163.15 1.71 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -40.0 87.51 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.17 -0.956 . . . . 0.0 109.682 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.372 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.29 0.567 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.499 HH11 ' HG2' ' X' ' 2' ' ' ARG . 0.0 OUTLIER -60.93 -39.32 88.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.36 -0.838 . . . . 0.0 109.445 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 69.3 p -59.88 139.84 57.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.971 . . . . 0.0 109.951 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' X' ' 5' ' ' ILE . 21.2 mmmt -116.91 163.53 16.06 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.549 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.7 pp -59.1 -160.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 O-C-N 120.816 -1.178 . . . . 0.0 108.297 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.549 ' N ' HD12 ' X' ' 5' ' ' ILE . 0.5 OUTLIER -50.58 -6.92 0.03 OUTLIER 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.743 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.526 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.3 OUTLIER -41.9 -24.54 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.394 -0.816 . . . . 0.0 109.588 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' X' ' 6' ' ' ASP . 9.3 p-10 -59.93 -39.98 87.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.33 -39.32 92.26 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' X' ' 7' ' ' TRP . 82.1 mt -59.94 -42.52 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.511 -0.743 . . . . 0.0 110.842 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.95 -39.99 87.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.863 -1.148 . . . . 0.0 108.501 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.388 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.348 0.594 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 0.0 OUTLIER -60.73 -39.56 89.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.43 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 69.2 p -59.88 139.93 57.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.209 -0.932 . . . . 0.0 109.986 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' B' ' 44' ' ' LEU . 21.2 mmmt -116.87 163.61 15.92 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.536 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.7 pp -59.3 -160.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 120.792 -1.192 . . . . 0.0 108.214 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.536 ' N ' HD12 ' Y' ' 5' ' ' ILE . 0.5 OUTLIER -50.26 -7.05 0.03 OUTLIER 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.731 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.528 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.2 OUTLIER -41.69 -24.63 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.635 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 9.4 p-10 -59.86 -40.0 87.14 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' Y' ' 6' ' ' ASP . 62.7 mttp -65.29 -39.57 92.71 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' Y' ' 7' ' ' TRP . 87.3 mt -60.0 -42.35 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.443 -0.786 . . . . 0.0 110.858 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Y' ' 11' ' ' LEU . 1.1 mm? -60.03 -39.4 85.78 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.841 -1.162 . . . . 0.0 108.674 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.474 -179.652 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -69.68 -38.7 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 109.897 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.86 -23.6 63.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.848 -1.157 . . . . 0.0 110.489 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE2' ' CD2' ' B' ' 43' ' ' PHE . 86.2 tt0 -59.89 -48.79 80.26 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.74 -1.225 . . . . 0.0 110.106 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -69.75 -36.67 75.99 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.948 -1.095 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.06 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.318 -0.864 . . . . 0.0 110.366 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 mmm -61.43 -40.67 95.29 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.897 -1.127 . . . . 0.0 109.05 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.54 -40.02 83.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.04 -45.49 85.22 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.849 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.09 -44.75 94.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.981 -1.074 . . . . 0.0 109.048 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.48 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.031 -1.043 . . . . 0.0 109.335 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -64.55 -39.92 94.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.865 -1.147 . . . . 0.0 109.418 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ALA . 25.3 t -55.9 -33.83 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 83.3 t80 -59.98 -48.47 81.57 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.416 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -67.42 -33.78 75.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.68 -0.637 . . . . 0.0 111.84 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.683 -1.261 . . . . 0.0 110.518 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.3 -34.82 9.84 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.994 -1.066 . . . . 0.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -69.05 -40.05 78.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.055 -1.028 . . . . 0.0 109.682 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.18 3.22 62.76 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 55.8 ttt180 -65.4 -39.43 92.18 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.398 -1.06 . . . . 0.0 109.184 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -119.73 166.94 12.57 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -59.04 -39.47 94.35 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD2' ' OE1' ' A' ' 31' ' ' GLU . 45.4 p-10 -67.9 70.3 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.311 . . . . 0.0 109.662 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' GLY . 63.8 tttp -69.33 -29.85 67.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.798 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -71.83 -32.41 67.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.968 . . . . 0.0 110.514 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -125.05 148.86 48.3 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.234 -0.916 . . . . 0.0 109.833 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.18 120.61 42.59 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.579 -0.7 . . . . 0.0 109.596 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' LYS . 30.5 ttmt -82.72 152.13 25.9 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' LYS . 9.4 ptpp? -43.06 -37.47 1.98 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.026 -1.046 . . . . 0.0 110.169 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -61.47 -40.94 96.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.858 -1.151 . . . . 0.0 109.778 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE1' ' OD2' ' A' ' 23' ' ' ASP . 47.8 mt-10 -70.07 -39.97 75.31 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.054 -1.029 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD22 ' SD ' ' A' ' 57' ' ' MET . 13.7 tp -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.969 -1.082 . . . . 0.0 108.276 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -57.8 -40.07 79.05 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.518 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.14 -39.92 90.2 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -58.84 -49.47 77.62 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.09 -47.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 121.497 -0.752 . . . . 0.0 111.115 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -73.07 -24.77 60.72 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.397 -1.44 . . . . 0.0 111.528 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -87.18 -29.71 21.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.784 -1.198 . . . . 0.0 111.221 -177.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 40' ' ' LEU . 81.4 mm-40 -102.94 -25.01 13.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.875 -1.141 . . . . 0.0 109.848 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 39' ' ' GLU . 19.3 mt -118.34 44.29 2.27 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.76 -89.81 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.706 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -107.17 -10.24 15.91 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.339 -0.851 . . . . 0.0 110.286 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 88.3 m-85 -69.11 -32.84 72.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 108.749 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' NE1' ' X' ' 7' ' ' TRP . 2.1 mt -134.1 -159.82 1.0 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.09 133.71 11.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.0 109.435 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -100.73 123.57 45.12 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HG11 ' A' ' 52' ' ' VAL . 48.2 mm -90.95 109.77 21.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.861 0.839 . . . . 0.0 109.683 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.25 -10.69 7.0 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.527 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 48.7 tp10 -124.17 135.03 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.295 0.569 . . . . 0.0 109.975 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -62.34 -23.62 66.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.325 -0.86 . . . . 0.0 109.422 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 pp20? -60.03 -40.03 87.9 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.107 -0.995 . . . . 0.0 109.537 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG11 ' CD1' ' A' ' 47' ' ' ILE . 47.8 t -62.4 -46.91 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 t -60.0 -42.0 88.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.769 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.63 -45.61 74.88 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 118.688 -1.205 . . . . 0.0 109.043 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.39 -39.98 81.52 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' VAL . 42.8 t -70.03 -36.83 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.647 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.4 mmm -71.27 -39.96 71.24 Favored 'General case' 0 C--O 1.199 -1.576 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 85.8 tt0 -58.42 -30.19 66.68 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.846 -1.159 . . . . 0.0 107.974 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 91.9 m -66.46 -40.02 89.15 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' GLU . 70.1 mt -105.81 -45.38 4.4 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.151 -0.968 . . . . 0.0 108.868 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' N ' ' O ' ' A' ' 57' ' ' MET . 57.7 t0 -71.58 52.96 0.21 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' LEU . 73.6 mm-40 -67.08 3.79 1.06 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.743 0.782 . . . . 0.0 108.891 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 61' ' ' ASP . 90.6 m-20 -83.35 -32.08 26.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.18 10.65 83.47 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.877 -2.089 . . . . 0.0 107.877 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.3 p-10 -86.13 2.05 48.24 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.48 30.25 76.19 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.0 mt-10 -142.86 152.31 42.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.497 -1.002 . . . . 0.0 110.116 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.4 t -127.45 120.16 27.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 13.1 t70 -82.51 170.01 15.7 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.109 -0.995 . . . . 0.0 109.732 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 5.1 t80 -48.59 -49.4 36.91 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.28 -41.32 93.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.694 -0.629 . . . . 0.0 110.875 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.92 -40.0 75.81 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.891 -1.13 . . . . 0.0 108.938 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 t80 -69.52 -34.14 73.83 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.451 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -58.97 -34.82 72.25 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.21 -24.82 64.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.643 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 33.8 t80 -59.98 -39.97 87.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.074 . . . . 0.0 108.743 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -40.16 81.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 120.971 -1.081 . . . . 0.0 108.548 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.417 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 51.8 m -65.56 -42.13 92.19 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.538 -177.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -70.56 -39.89 73.69 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.586 -1.321 . . . . 0.0 110.439 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.8 t -77.44 -33.06 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.757 -1.214 . . . . 0.0 109.459 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.6 m -67.07 -39.97 86.95 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.729 -1.232 . . . . 0.0 108.311 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -69.92 -40.08 75.76 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.437 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.96 97.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.024 -1.048 . . . . 0.0 109.967 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 t -63.72 -41.72 98.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -61.79 -40.28 94.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -0.947 . . . . 0.0 109.168 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 86.8 tt0 -60.79 -40.67 93.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.424 -0.797 . . . . 0.0 109.919 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -67.39 107.13 2.31 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.363 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 86' ' ' GLU . 89.8 m-85 -90.89 -154.94 0.37 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.015 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.93 -76.68 0.35 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.24 -0.912 . . . . 0.0 109.275 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -63.18 -39.97 96.16 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.29 -0.881 . . . . 0.0 108.821 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.207 179.794 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.41 -38.62 78.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.0 109.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.84 -23.72 63.34 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.875 -1.141 . . . . 0.0 110.527 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.1 tt0 -59.92 -49.18 78.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 109.951 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -69.26 -37.17 77.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 109.662 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.11 95.23 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 110.33 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 56.7 mmm -61.58 -40.46 94.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.796 -1.19 . . . . 0.0 109.019 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.66 -39.98 83.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -64.83 -45.61 85.43 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.416 -0.513 . . . . 0.0 109.923 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.03 -44.95 94.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.007 -1.058 . . . . 0.0 109.062 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.17 -49.4 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.03 -1.044 . . . . 0.0 109.433 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.73 -39.96 94.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.859 -1.15 . . . . 0.0 109.393 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 9' ' ' ALA . 29.5 t -55.84 -33.76 35.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.515 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 83.4 t80 -60.01 -48.74 80.47 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.353 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.26 -33.68 75.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.64 -0.662 . . . . 0.0 111.856 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.92 -40.05 87.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.642 -1.286 . . . . 0.0 110.585 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -100.2 -34.98 9.8 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.015 -1.053 . . . . 0.0 109.998 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 t -68.94 -40.07 79.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.001 -1.062 . . . . 0.0 109.707 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.16 3.32 62.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 55.5 ttt180 -65.3 -39.72 92.89 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.366 -1.079 . . . . 0.0 109.1 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -119.58 167.15 12.28 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -59.1 -39.66 94.67 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.405 ' OD2' ' OE1' ' B' ' 31' ' ' GLU . 45.0 p-10 -67.75 70.3 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.935 -1.332 . . . . 0.0 109.684 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 22' ' ' GLY . 64.8 tttp -69.47 -29.81 67.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 0.0 109.758 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -71.77 -32.18 67.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.624 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -125.2 149.16 48.23 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.169 -0.957 . . . . 0.0 109.773 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 54.6 mt -107.29 120.53 42.39 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.594 -0.691 . . . . 0.0 109.593 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 29' ' ' LYS . 31.1 ttmt -82.61 152.27 25.99 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 28' ' ' LYS . 9.5 ptpp? -43.19 -37.39 2.08 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.958 -1.089 . . . . 0.0 110.161 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 m -61.35 -40.87 95.86 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.911 -1.118 . . . . 0.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 23' ' ' ASP . 47.7 mt-10 -70.06 -40.23 75.2 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.983 -1.073 . . . . 0.0 110.002 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' B' ' 57' ' ' MET . 13.3 tp -69.97 -31.57 69.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.941 -1.1 . . . . 0.0 108.401 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -57.57 -40.01 78.02 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 79.2 mm-40 -66.02 -39.98 90.7 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.701 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -58.95 -49.56 77.37 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.0 -47.3 69.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.507 -0.746 . . . . 0.0 111.136 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -72.78 -24.92 61.0 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.499 -1.376 . . . . 0.0 111.503 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -87.12 -29.87 21.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.77 -1.206 . . . . 0.0 111.195 -177.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 40' ' ' LEU . 81.3 mm-40 -102.79 -24.86 13.69 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.898 -1.126 . . . . 0.0 109.921 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.412 HD23 ' O ' ' B' ' 39' ' ' GLU . 19.3 mt -118.45 44.42 2.26 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 54.7 m -52.79 -89.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.616 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -107.21 -10.28 15.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.446 -0.784 . . . . 0.0 110.304 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CD2' ' OE2' ' A' ' 4' ' ' GLU . 88.8 m-85 -69.06 -32.81 72.55 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.025 -1.047 . . . . 0.0 108.757 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -134.22 -159.94 1.01 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.83 133.7 10.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.03 -1.044 . . . . 0.0 109.472 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.86 123.81 45.6 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' B' ' 52' ' ' VAL . 46.9 mm -90.97 109.79 21.48 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-O 121.954 0.883 . . . . 0.0 109.728 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.41 -10.48 6.9 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 49.2 tp10 -124.3 134.88 53.07 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.227 0.537 . . . . 0.0 109.976 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -62.15 -23.6 66.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.237 -0.915 . . . . 0.0 109.404 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 pp20? -60.04 -40.17 88.46 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.154 -0.966 . . . . 0.0 109.605 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.511 HG11 ' CD1' ' B' ' 47' ' ' ILE . 45.9 t -62.27 -46.93 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.01 -41.6 86.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.8 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.0 -45.57 73.72 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 118.779 -1.168 . . . . 0.0 109.041 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -68.51 -39.91 81.05 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -69.98 -36.84 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.5 mmm -71.33 -39.98 71.03 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.435 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.1 tt0 -58.59 -30.02 66.89 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 91.3 m -66.58 -39.89 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.295 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 62' ' ' GLU . 69.3 mt -105.84 -45.55 4.35 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.126 -0.984 . . . . 0.0 108.725 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 57' ' ' MET . 57.4 t0 -71.43 52.95 0.2 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 60' ' ' LEU . 74.0 mm-40 -67.1 3.88 1.04 Allowed 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' B' ' 61' ' ' ASP . 90.6 m-20 -83.3 -32.19 26.47 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.36 10.58 83.38 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.2 p-10 -86.24 2.26 47.74 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.428 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.41 30.16 76.1 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.551 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.9 mt-10 -142.77 152.49 42.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 110.081 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 8.0 t -127.53 120.06 27.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 13.2 t70 -82.53 170.02 15.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.072 -1.017 . . . . 0.0 109.748 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.523 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 5.1 t80 -48.47 -49.52 35.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.14 -41.51 92.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.627 -0.671 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -69.66 -40.04 76.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.881 -1.137 . . . . 0.0 108.99 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.574 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 t80 -69.84 -33.77 72.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -58.99 -34.86 72.32 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.23 -25.05 64.11 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.566 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' B' ' 76' ' ' PHE . 33.4 t80 -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.924 -1.11 . . . . 0.0 108.879 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -40.0 80.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 O-C-N 121.009 -1.057 . . . . 0.0 108.587 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 53.6 m -65.62 -42.14 91.91 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.634 -177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.59 -40.0 73.5 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 118.34 -1.344 . . . . 0.0 110.442 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -77.18 -33.4 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.778 -1.201 . . . . 0.0 109.508 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -66.87 -39.84 87.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.716 -1.24 . . . . 0.0 108.364 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 84.7 m -69.82 -40.09 76.09 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.182 0.515 . . . . 0.0 110.489 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.29 98.43 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 110.016 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.67 -41.67 98.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.186 -0.946 . . . . 0.0 109.467 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -61.79 -40.22 94.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.18 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 86.5 tt0 -60.96 -40.73 94.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.447 -0.783 . . . . 0.0 109.843 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -67.33 107.25 2.33 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.324 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' B' ' 86' ' ' GLU . 90.3 m-85 -90.88 -154.65 0.36 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.349 -0.845 . . . . 0.0 109.038 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -87.21 -76.61 0.36 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.263 -0.898 . . . . 0.0 109.217 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -63.28 -39.91 95.9 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.326 -0.859 . . . . 0.0 108.902 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.225 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.33 -30.16 68.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 0.0 109.141 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -60.02 141.57 55.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.427 -0.795 . . . . 0.0 109.804 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.92 166.69 23.95 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.379 -0.826 . . . . 0.0 109.239 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' X' ' 7' ' ' TRP . 1.4 pp -67.34 -173.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-O 122.303 1.049 . . . . 0.0 109.186 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -67.38 44.16 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.924 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -60.99 -24.66 66.3 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.46 -40.06 81.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.169 -0.957 . . . . 0.0 109.487 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.42 -38.22 86.31 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.047 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.02 -39.4 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 0.0 109.995 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 64.6 mt -57.56 -40.02 77.98 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.205 -0.934 . . . . 0.0 109.176 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.74 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.09 -30.29 68.56 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.194 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -60.0 141.62 55.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.773 . . . . 0.0 109.861 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -140.04 166.35 24.89 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.47 -0.769 . . . . 0.0 109.298 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' Y' ' 7' ' ' TRP . 1.4 pp -67.22 -173.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-O 122.361 1.077 . . . . 0.0 109.2 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -67.3 44.08 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.906 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.499 ' N ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.91 -24.64 66.15 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.58 -40.02 81.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 109.435 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -61.28 -38.34 86.41 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 97.7 mt -60.03 -39.54 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.353 -0.842 . . . . 0.0 110.014 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.447 ' O ' ' OG1' ' B' ' 59' ' ' THR . 47.5 mt -57.76 -39.59 77.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.183 -0.948 . . . . 0.0 109.378 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.686 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.439 0.638 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.05 -38.28 85.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.475 -0.766 . . . . 0.0 110.044 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.84 -30.96 69.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.683 -1.261 . . . . 0.0 109.602 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.991 -1.068 . . . . 0.0 110.491 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -31.99 73.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.692 -1.255 . . . . 0.0 108.456 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.96 -40.97 97.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.496 -0.752 . . . . 0.0 109.587 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.4 mtt -60.09 -40.01 88.11 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.02 -1.05 . . . . 0.0 108.974 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.87 -40.36 82.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -48.87 58.22 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.849 -0.532 . . . . 0.0 110.165 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' B' ' 10' ' ' LEU . 93.9 mt -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.106 -0.996 . . . . 0.0 110.121 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.28 -40.1 87.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.037 -1.039 . . . . 0.0 108.559 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.31 -39.92 77.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.268 -0.895 . . . . 0.0 110.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.43 -34.41 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.9 -48.46 81.59 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.469 -0.769 . . . . 0.0 109.378 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -70.11 -27.2 64.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.582 -0.699 . . . . 0.0 110.862 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -60.23 -46.17 90.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.167 -0.958 . . . . 0.0 111.355 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -101.72 -25.35 13.88 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.843 -1.161 . . . . 0.0 110.556 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -60.04 -40.13 88.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.562 -1.336 . . . . 0.0 108.234 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.43 4.39 59.77 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -59.99 -40.0 87.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.001 -1.293 . . . . 0.0 108.854 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -129.45 161.2 30.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.699 -0.626 . . . . 0.0 109.422 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.56 -34.86 50.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.16 77.34 0.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.896 -1.355 . . . . 0.0 108.998 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.07 -16.46 56.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.0 109.647 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -71.29 -39.71 71.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 110.463 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -129.2 155.87 44.84 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.303 -0.873 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.44 115.0 29.45 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 80.0 tttt -80.01 156.9 26.94 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' CB ' ' SD ' ' A' ' 57' ' ' MET . 13.2 ptpt -44.14 -40.24 4.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.048 -1.033 . . . . 0.0 110.012 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.4 m -60.09 -41.55 92.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.16 -0.963 . . . . 0.0 109.615 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -69.89 -40.07 75.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.166 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 HD23 ' A' ' 35' ' ' LEU . 58.9 tp -65.22 -39.17 92.41 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.02 -40.5 89.52 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.556 -0.715 . . . . 0.0 109.871 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 38' ' ' ASN . 50.1 tp10 -70.29 -40.05 74.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.94 -1.1 . . . . 0.0 108.842 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.721 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.01 -50.19 74.69 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.78 -0.575 . . . . 0.0 109.85 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -70.12 -41.73 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.909 -1.119 . . . . 0.0 110.058 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -65.87 -37.19 85.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.983 -1.073 . . . . 0.0 110.561 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.697 HD22 ' N ' ' A' ' 38' ' ' ASN . 1.2 m120 -86.22 -12.71 48.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.159 -0.963 . . . . 0.0 110.444 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -106.32 -27.71 10.83 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.4 mt -112.01 54.8 0.69 Allowed 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 94.9 p -45.07 -99.35 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.517 -0.739 . . . . 0.0 111.039 -178.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' N ' ' OG ' ' A' ' 41' ' ' SER . 72.7 m80 -114.34 -20.42 10.85 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.417 -0.802 . . . . 0.0 110.208 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.92 -39.08 84.23 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 108.744 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' HE1' ' X' ' 7' ' ' TRP . 2.1 mt -116.3 -162.57 0.85 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -60.06 135.14 57.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.921 -1.112 . . . . 0.0 110.318 -179.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 5.0 pt-20 -99.19 116.23 30.91 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -83.35 126.88 40.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.979 0 CA-C-O 121.835 0.826 . . . . 0.0 109.01 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -138.55 -15.09 1.23 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 86.1 mt-10 -123.08 153.63 39.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.436 -0.79 . . . . 0.0 110.368 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.53 -23.72 62.68 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 pt-20 -60.67 -42.19 96.56 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.302 -0.873 . . . . 0.0 110.06 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 t -62.98 -47.02 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.28 -40.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.69 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.86 -40.06 79.52 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 118.748 -1.181 . . . . 0.0 109.47 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.93 -39.92 75.84 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.958 0.885 . . . . 0.0 108.843 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 52' ' ' VAL . 49.6 t -69.64 -39.21 77.95 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-O 121.734 0.778 . . . . 0.0 109.017 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.619 ' O ' ' N ' ' A' ' 61' ' ' ASP . 53.6 mtp -70.69 -39.98 73.18 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -63.49 -33.69 76.14 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' X' ' 11' ' ' LEU . 94.7 m -69.76 -40.05 76.34 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.497 0.665 . . . . 0.0 110.088 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -102.61 -58.39 1.88 Allowed 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' MET . 94.3 m-20 -84.69 60.82 6.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.77 5.13 0.67 Allowed 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 61' ' ' ASP . 89.1 m-20 -71.51 -34.69 70.32 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.71 10.69 83.92 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 106.756 -2.538 . . . . 0.0 106.756 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 29.7 p-10 -78.57 -0.54 30.09 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.24 31.11 75.86 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 107.486 -2.246 . . . . 0.0 107.486 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -143.01 151.12 40.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.525 -0.985 . . . . 0.0 110.323 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.52 115.86 20.88 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.61 165.47 22.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.147 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 27.0 p90 -55.09 -40.02 69.96 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.202 -0.936 . . . . 0.0 108.858 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 61.8 tt0 -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.147 -0.97 . . . . 0.0 108.739 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 -39.97 75.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.469 -0.769 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.695 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.4 t80 -59.74 -39.89 86.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.751 -1.218 . . . . 0.0 108.625 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -31.72 71.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.253 -0.904 . . . . 0.0 109.509 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -69.28 -31.35 69.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.931 -1.106 . . . . 0.0 109.986 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.01 -41.48 92.24 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.051 -1.03 . . . . 0.0 109.519 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -60.61 -44.08 96.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -63.77 -40.84 97.65 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 62.7 ttp -61.56 -45.01 95.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 110.469 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.6 -28.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.125 -0.985 . . . . 0.0 110.01 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.8 m -65.96 -40.02 90.91 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.067 -1.021 . . . . 0.0 109.047 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 p -72.34 -40.25 67.53 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.745 -0.597 . . . . 0.0 110.554 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.87 95.58 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.043 -1.036 . . . . 0.0 109.904 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.89 -44.71 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.218 -0.926 . . . . 0.0 109.479 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -62.35 -40.44 96.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.431 -0.793 . . . . 0.0 110.367 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.068 -1.02 . . . . 0.0 109.909 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.86 106.38 0.8 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.04 -1.037 . . . . 0.0 108.71 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -89.17 -161.92 0.81 Allowed 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -99.05 111.71 24.04 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.403 -0.81 . . . . 0.0 109.569 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -59.96 -46.81 88.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.752 -0.593 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.317 179.708 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.342 0.592 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.12 -38.1 85.16 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.539 -0.726 . . . . 0.0 110.041 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.9 tp -59.95 -31.02 69.47 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.65 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.94 -50.05 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.049 -1.032 . . . . 0.0 110.451 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -32.25 73.66 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.723 -1.235 . . . . 0.0 108.494 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.68 96.33 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.482 -0.761 . . . . 0.0 109.513 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 43.5 mtt -60.14 -39.99 88.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.995 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.02 -39.96 81.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.14 59.24 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.341 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 10' ' ' LEU . 88.5 mt -61.84 -41.03 97.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 109.935 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.9 -40.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.976 -1.077 . . . . 0.0 108.473 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -69.47 -39.78 77.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.272 -0.892 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.4 -34.85 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.01 -47.89 83.98 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.401 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.47 -26.84 63.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.457 -0.777 . . . . 0.0 110.783 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.92 -46.88 87.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.11 -0.994 . . . . 0.0 111.358 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -101.57 -25.19 13.98 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.967 -1.083 . . . . 0.0 110.515 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -60.22 -39.84 88.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.559 -1.338 . . . . 0.0 108.083 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.79 60.38 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.06 -39.92 87.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.008 -1.29 . . . . 0.0 108.891 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -129.38 161.31 30.63 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.685 -0.634 . . . . 0.0 109.479 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.75 49.22 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -70.43 77.72 0.56 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.883 -1.363 . . . . 0.0 108.935 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -79.33 -16.53 56.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 109.5 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -71.31 -39.63 71.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 110.416 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -129.1 155.73 44.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.306 -0.871 . . . . 0.0 110.466 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 70.7 mt -106.27 114.84 29.21 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 29' ' ' LYS . 83.8 tttt -79.95 157.2 26.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.946 -1.096 . . . . 0.0 108.109 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' B' ' 57' ' ' MET . 13.2 ptpt -44.62 -40.0 5.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.002 -1.061 . . . . 0.0 110.038 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -60.57 -41.18 94.1 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.494 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -70.03 -40.06 75.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.527 HD12 HD23 ' B' ' 35' ' ' LEU . 58.6 tp -65.06 -39.02 92.66 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -59.88 -41.19 91.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.508 -0.745 . . . . 0.0 109.815 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.418 ' OE2' ' OD1' ' B' ' 38' ' ' ASN . 50.0 tp10 -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.003 -1.061 . . . . 0.0 108.897 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -60.0 -50.11 75.01 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.937 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.99 -41.88 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.841 -1.162 . . . . 0.0 110.047 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.62 -37.24 86.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.09 -1.006 . . . . 0.0 110.526 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.679 HD22 ' N ' ' B' ' 38' ' ' ASN . 1.2 m120 -85.96 -13.16 48.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.236 -0.915 . . . . 0.0 110.575 -177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.98 -27.61 11.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.284 -0.885 . . . . 0.0 108.72 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.03 54.75 0.69 Allowed 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.6 p -45.05 -99.14 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.513 -0.742 . . . . 0.0 111.15 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.444 ' N ' ' OG ' ' B' ' 41' ' ' SER . 72.7 m80 -114.52 -20.27 10.82 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.381 -0.825 . . . . 0.0 110.129 -178.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.01 -39.52 86.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.004 -1.06 . . . . 0.0 108.603 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -116.03 -162.47 0.84 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER -60.28 135.64 57.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.95 -1.094 . . . . 0.0 110.415 -179.177 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 5.1 pt-20 -99.45 116.21 31.07 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.5 mm -83.45 126.99 40.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 CA-C-O 121.942 0.877 . . . . 0.0 109.015 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.549 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -138.58 -15.15 1.23 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -123.33 153.96 39.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.423 -0.798 . . . . 0.0 110.33 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.58 -23.85 62.66 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -60.59 -42.13 96.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.3 -0.875 . . . . 0.0 110.175 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.9 -47.15 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.01 -41.11 85.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.831 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.92 -40.21 79.18 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.868 -1.133 . . . . 0.0 109.203 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -69.84 -40.0 76.1 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.012 0.911 . . . . 0.0 108.764 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.39 -39.54 78.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.625 ' O ' ' N ' ' B' ' 61' ' ' ASP . 51.1 mtp -70.54 -40.07 73.63 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.93 -34.04 76.62 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Y' ' 11' ' ' LEU . 95.0 m -69.91 -39.96 75.87 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.497 0.665 . . . . 0.0 110.094 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 75' ' ' ALA . 0.2 OUTLIER -102.05 -58.96 1.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' B' ' 57' ' ' MET . 94.6 m-20 -84.61 60.61 6.2 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.84 5.45 0.64 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.987 0.898 . . . . 0.0 108.609 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.7 m-20 -71.54 -34.93 70.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.97 10.61 83.75 Favored Glycine 0 N--CA 1.482 1.724 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.4 p-10 -78.3 -0.83 30.36 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.5 30.87 75.65 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.561 -2.215 . . . . 0.0 107.561 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -143.06 151.26 40.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.378 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.36 116.07 21.31 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.83 165.61 22.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.122 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 27.0 p90 -55.09 -39.97 69.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.074 -1.016 . . . . 0.0 108.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.597 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 61.7 tt0 -62.97 -41.79 99.64 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.12 -0.988 . . . . 0.0 108.657 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.98 -39.98 75.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.554 -0.716 . . . . 0.0 110.69 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.6 t80 -59.89 -39.88 86.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.647 -1.283 . . . . 0.0 108.629 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.33 -31.87 70.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.414 ' HB3' HD21 ' B' ' 60' ' ' LEU . . . -69.64 -30.89 68.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 109.993 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' B' ' 80' ' ' VAL . 71.1 t80 -60.13 -42.17 94.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.381 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.411 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.4 OUTLIER -60.13 -43.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 12.6 t -63.73 -40.81 97.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.417 ' CE ' HG23 ' Y' ' 10' ' ' ILE . 60.4 ttp -61.43 -45.3 94.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 110.593 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' B' ' 76' ' ' PHE . 7.4 t -82.56 -28.94 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.165 -0.959 . . . . 0.0 109.872 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 87.1 m -65.89 -39.89 91.06 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.108 -0.995 . . . . 0.0 109.067 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -72.65 -40.31 66.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.688 -0.632 . . . . 0.0 110.536 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.432 ' HB1' HD13 ' Y' ' 5' ' ' ILE . . . -60.26 -44.88 94.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 38.9 t -65.23 -44.38 88.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.087 -1.008 . . . . 0.0 109.551 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.56 -40.2 96.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.333 -0.854 . . . . 0.0 110.299 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.35 -40.08 89.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.925 -1.11 . . . . 0.0 109.911 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -62.65 106.08 0.74 Allowed 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.688 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -88.83 -161.86 0.8 Allowed 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -98.92 111.85 24.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.701 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -60.06 -47.02 87.6 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.775 -0.578 . . . . 0.0 109.623 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.373 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' X' ' 2' ' ' ARG . 12.3 ptt-85 -89.72 -0.11 57.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.856 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 82.5 p -70.33 157.86 36.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.082 -1.011 . . . . 0.0 110.033 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -81.68 158.08 24.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.555 -0.715 . . . . 0.0 109.801 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.754 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.6 pp -45.85 -71.29 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.573 -0.704 . . . . 0.0 109.931 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.754 ' N ' HD12 ' X' ' 5' ' ' ILE . 3.1 p30 -171.51 32.67 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.524 ' HA ' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -51.1 -24.74 4.24 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.972 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.754 HD22 ' H ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER -59.06 -39.9 83.5 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.45 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 56.6 tptt -60.9 -40.09 91.77 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' X' ' 7' ' ' TRP . 96.8 mt -61.53 -40.04 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.559 -0.713 . . . . 0.0 111.564 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.406 ' O ' ' OG1' ' A' ' 59' ' ' THR . 6.9 mp -59.9 -39.97 87.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.397 -1.439 . . . . 0.0 108.452 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.248 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.494 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 11.5 ptt-85 -89.38 -0.48 57.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.124 -0.985 . . . . 0.0 109.894 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 82.0 p -69.97 157.77 36.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.0 110.164 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -81.69 157.59 24.55 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.49 0.662 . . . . 0.0 109.763 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.766 HD12 ' H ' ' Y' ' 6' ' ' ASP . 1.5 pp -45.89 -70.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.513 -0.742 . . . . 0.0 110.083 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.766 ' H ' HD12 ' Y' ' 5' ' ' ILE . 3.1 p30 -171.74 32.65 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.512 ' CD1' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -51.09 -24.59 4.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.018 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.812 ' H ' HD22 ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -59.31 -40.06 85.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.469 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 55.9 tptt -60.68 -40.03 90.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 96.4 mt -61.6 -40.05 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.511 -0.743 . . . . 0.0 111.478 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.3 mp -59.85 -39.84 86.54 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.239 -1.538 . . . . 0.0 108.586 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.3 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.51 -38.64 81.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.455 -0.778 . . . . 0.0 109.952 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.97 -25.22 67.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.915 -1.116 . . . . 0.0 110.644 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -49.8 76.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.894 -1.129 . . . . 0.0 110.553 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -69.85 -39.96 76.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.395 -1.441 . . . . 0.0 109.054 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.59 97.07 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.377 -0.827 . . . . 0.0 109.893 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 41.6 ttm -60.05 -42.7 95.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.048 -1.032 . . . . 0.0 109.637 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.9 -40.0 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.98 99.77 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.344 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.72 -40.15 94.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.954 -1.091 . . . . 0.0 109.459 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.499 HD11 ' SG ' ' B' ' 84' ' ' CYS . 97.1 mt -62.26 -41.63 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.859 . . . . 0.0 110.035 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.99 -39.98 75.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.701 -1.249 . . . . 0.0 110.098 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.01 -34.36 56.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.013 -1.055 . . . . 0.0 108.483 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -58.28 -49.59 76.61 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.43 -0.794 . . . . 0.0 109.779 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -77.11 -27.71 54.15 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.333 -0.854 . . . . 0.0 112.221 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.01 -40.36 88.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.59 -1.319 . . . . 0.0 111.558 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.51 -30.95 9.7 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.875 -1.141 . . . . 0.0 110.579 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.7 t -61.91 -44.14 97.39 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.922 -1.111 . . . . 0.0 111.158 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.05 4.53 81.39 Favored Glycine 0 N--CA 1.494 2.563 0 C-N-CA 119.91 -1.138 . . . . 0.0 110.497 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -69.98 -41.62 74.19 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.823 -1.398 . . . . 0.0 110.726 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 53.8 tp10 -164.6 158.7 18.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.109 -0.994 . . . . 0.0 109.138 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -158.77 46.38 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -70.54 130.51 42.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -1.092 . . . . 0.0 109.773 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.26 -40.01 78.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.478 -0.764 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -76.98 -20.39 56.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 0.0 112.01 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.02 158.66 38.99 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.899 -1.125 . . . . 0.0 110.424 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -106.85 120.08 41.08 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.665 . . . . 0.0 109.558 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HZ2' ' CB ' ' A' ' 30' ' ' SER . 27.2 ttpp -93.3 150.39 20.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' LYS . 26.7 ttmt -36.94 -42.91 0.42 Allowed 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.217 0.532 . . . . 0.0 110.428 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.514 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 99.8 p -62.86 -42.31 99.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -0.935 . . . . 0.0 110.167 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 34.5 mt-10 -68.7 -40.06 80.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.973 -1.08 . . . . 0.0 108.524 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.45 -40.06 93.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.568 -0.708 . . . . 0.0 109.659 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -59.41 -40.05 85.41 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -65.19 -41.38 94.63 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.465 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 tp -60.79 -49.96 75.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.655 -0.653 . . . . 0.0 110.013 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -80.93 -33.48 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.172 -0.955 . . . . 0.0 111.982 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 10.0 p-10 -77.27 -26.03 52.0 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 119.569 -1.957 . . . . 0.0 111.266 -177.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 3.7 m120 -108.97 -37.23 5.89 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 121.241 -0.912 . . . . 0.0 111.52 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' HD22 ' A' ' 40' ' ' LEU . 2.8 tm-20 -82.31 -22.15 35.77 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.584 -1.323 . . . . 0.0 108.688 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 39' ' ' GLU . 2.1 mm? -117.91 74.03 0.92 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 40' ' ' LEU . 4.2 m -59.91 -134.22 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.591 -0.693 . . . . 0.0 110.162 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -91.02 -1.46 57.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.013 -1.054 . . . . 0.0 109.581 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.97 -40.97 90.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 4.6 tp -120.37 -49.92 2.25 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.612 -0.68 . . . . 0.0 109.358 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.29 128.93 6.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.13 -0.981 . . . . 0.0 109.286 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -99.28 119.99 38.82 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -87.99 108.52 18.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-O 121.882 0.849 . . . . 0.0 109.541 -178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -13.75 8.6 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -123.65 148.55 46.36 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.676 0.75 . . . . 0.0 110.535 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.65 -20.43 61.26 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.21 -40.52 90.42 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.858 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.0 t -64.04 -50.07 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.4 t -59.98 -46.74 93.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.013 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.57 -42.62 99.66 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 120.781 -1.199 . . . . 0.0 109.402 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -71.08 -38.44 72.44 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -77.11 -32.45 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 121.796 0.808 . . . . 0.0 108.994 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -72.44 -40.38 67.09 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.19 -35.57 75.69 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -72.6 -24.15 61.04 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.511 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 72' ' ' GLU . 19.4 tp -104.9 -45.85 4.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.245 -0.909 . . . . 0.0 108.925 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 57' ' ' MET . 22.7 t0 -75.17 53.2 0.62 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -66.56 6.45 0.46 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.771 0.796 . . . . 0.0 109.115 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.7 m-20 -91.42 -28.07 17.89 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.6 6.84 88.19 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.024 -1.63 . . . . 0.0 109.024 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 39.6 p-10 -91.28 4.15 53.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.617 -0.931 . . . . 0.0 109.134 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.56 28.44 72.31 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 99.5 mt-10 -145.57 159.76 42.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.462 -1.022 . . . . 0.0 110.065 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.52 123.23 26.16 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 48.1 p-10 -82.82 171.84 13.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.754 -1.216 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 36.0 p90 -53.21 -43.03 66.89 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.263 -0.898 . . . . 0.0 109.385 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 4.6 tp-100 -60.09 -41.51 92.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.26 -0.9 . . . . 0.0 109.275 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.645 ' O ' HD11 ' A' ' 60' ' ' LEU . 31.0 mt-10 -67.13 -39.99 86.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -0.92 . . . . 0.0 110.059 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.09 -38.97 80.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.958 -1.089 . . . . 0.0 109.333 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.6 tpt -59.93 -34.79 73.7 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.798 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.08 68.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.031 -1.043 . . . . 0.0 110.22 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.506 ' O ' HG23 ' A' ' 80' ' ' VAL . 52.2 t80 -59.39 -40.01 85.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.885 -1.134 . . . . 0.0 108.068 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -39.34 81.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 p -60.88 -46.61 89.95 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.84 -0.537 . . . . 0.0 111.491 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.416 ' O ' ' OG1' ' A' ' 82' ' ' THR . 17.4 ptt? -70.0 -39.85 75.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.692 -1.255 . . . . 0.0 110.084 -178.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG13 HD13 ' X' ' 10' ' ' ILE . 12.2 t -72.82 -34.81 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.976 -1.078 . . . . 0.0 108.474 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 m -62.8 -39.89 95.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.199 -0.938 . . . . 0.0 108.641 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 79' ' ' MET . 7.2 p -64.66 -40.01 94.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.818 . . . . 0.0 109.883 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.68 72.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.063 -1.023 . . . . 0.0 110.607 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.557 ' SG ' HD11 ' B' ' 11' ' ' ILE . 15.1 p -61.12 -41.0 95.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.157 -0.964 . . . . 0.0 109.95 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.542 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 54.4 t-80 -60.02 -40.73 90.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 109.701 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.65 -40.34 95.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.205 -0.934 . . . . 0.0 109.918 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 110.306 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.14 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 91' ' ' GLU . 9.5 tm-20 -65.66 98.16 0.36 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.427 -0.796 . . . . 0.0 108.993 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.91 -40.0 75.85 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.549 -0.72 . . . . 0.0 110.728 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 40.4 mp0 . . . . . 0 N--CA 1.496 1.857 0 O-C-N 121.085 -1.009 . . . . 0.0 109.793 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.25 -38.61 81.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.478 -0.764 . . . . 0.0 110.066 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.8 -25.52 67.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.914 -1.116 . . . . 0.0 110.621 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 8' ' ' VAL . 85.7 tt0 -59.96 -49.72 76.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.919 -1.113 . . . . 0.0 110.602 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -69.94 -39.98 75.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.441 -1.412 . . . . 0.0 109.009 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.52 97.15 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 0.0 109.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 41.5 ttm -60.22 -42.57 95.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 109.685 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.8 t -60.92 -39.94 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.04 99.38 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.498 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.57 -39.91 95.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.768 -1.208 . . . . 0.0 109.215 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.557 HD11 ' SG ' ' A' ' 84' ' ' CYS . 97.3 mt -61.64 -41.96 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -0.87 . . . . 0.0 110.064 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.07 -39.94 75.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.694 -1.254 . . . . 0.0 109.998 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.02 -34.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.021 -1.049 . . . . 0.0 108.473 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.87 -49.14 78.89 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.478 -0.763 . . . . 0.0 109.718 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -77.49 -27.45 51.93 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 0.0 112.156 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.05 -40.51 89.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.648 -1.283 . . . . 0.0 111.537 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -104.33 -31.48 9.53 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 120.904 -1.123 . . . . 0.0 110.612 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.2 t -61.69 -44.06 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.872 -1.143 . . . . 0.0 111.134 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.19 81.56 Favored Glycine 0 N--CA 1.494 2.544 0 C-N-CA 119.883 -1.151 . . . . 0.0 110.517 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -69.96 -41.87 73.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.77 -1.429 . . . . 0.0 110.657 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.438 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 54.0 tp10 -164.34 158.68 18.95 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.011 . . . . 0.0 109.057 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 -158.93 45.59 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.68 130.77 42.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.371 -1.076 . . . . 0.0 109.675 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.37 -40.08 77.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.458 -0.776 . . . . 0.0 109.972 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -76.88 -20.12 56.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 0.0 112.091 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -130.12 158.45 39.62 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.865 -1.147 . . . . 0.0 110.382 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.72 120.13 41.18 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.649 -0.657 . . . . 0.0 109.525 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.521 ' HZ2' ' CB ' ' B' ' 30' ' ' SER . 27.6 ttpp -93.14 150.57 20.41 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.321 -0.862 . . . . 0.0 109.205 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 28' ' ' LYS . 28.4 ttmt -37.04 -43.29 0.46 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.216 0.531 . . . . 0.0 110.363 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.521 ' CB ' ' HZ2' ' B' ' 28' ' ' LYS . 98.8 p -62.68 -42.24 99.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.12 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 35.8 mt-10 -68.72 -39.97 80.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.027 -1.046 . . . . 0.0 108.537 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.66 -40.04 93.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.72 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.65 -39.94 86.05 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.28 -41.17 94.46 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.146 -1.022 . . . . 0.0 108.427 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 tp -60.75 -50.18 74.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.661 -0.649 . . . . 0.0 109.88 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.6 mt -80.44 -33.92 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.227 -0.92 . . . . 0.0 112.04 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.576 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 9.4 p-10 -77.01 -26.08 53.42 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.472 -2.018 . . . . 0.0 111.341 -177.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.576 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 3.7 m120 -109.01 -37.16 5.9 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.201 -0.937 . . . . 0.0 111.582 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.478 ' O ' HD22 ' B' ' 40' ' ' LEU . 2.7 tm-20 -82.4 -21.96 35.59 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.643 -1.286 . . . . 0.0 108.655 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.478 HD22 ' O ' ' B' ' 39' ' ' GLU . 2.4 mm? -117.86 73.83 0.91 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.454 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.8 m -59.75 -134.76 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.17 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -90.72 -1.51 57.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.98 -1.075 . . . . 0.0 109.633 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.04 -40.99 91.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.92 . . . . 0.0 109.629 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 4.2 tp -120.04 -50.63 2.26 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.639 -0.663 . . . . 0.0 109.346 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.38 129.31 7.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.193 -0.942 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -99.47 119.77 38.54 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.6 mm -88.03 108.33 18.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 121.904 0.859 . . . . 0.0 109.376 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.53 -13.89 8.73 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -123.53 148.55 46.2 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.679 0.752 . . . . 0.0 110.594 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.33 -20.62 61.45 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.06 -40.42 89.41 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.068 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.444 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.2 t -64.12 -50.01 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -60.12 -46.54 94.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -62.92 -42.59 99.85 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.434 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -71.12 -38.32 72.31 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 109.274 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.7 t -77.08 -32.36 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.798 0.808 . . . . 0.0 109.004 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.57 ' N ' ' O ' ' B' ' 53' ' ' VAL . 10.1 tpt -72.58 -40.43 66.59 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.43 -35.23 75.33 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 39.8 m -72.78 -23.94 60.87 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.549 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.654 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.0 tp -105.04 -45.81 4.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.284 -0.885 . . . . 0.0 108.822 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 23.0 t0 -75.08 53.21 0.6 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -66.61 6.5 0.46 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.762 0.791 . . . . 0.0 109.087 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -91.46 -28.2 17.79 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.07 6.34 88.31 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 39.6 p-10 -91.14 4.24 52.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.492 -1.005 . . . . 0.0 109.165 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.46 28.47 72.4 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 99.6 mt-10 -145.51 159.93 42.37 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -1.04 . . . . 0.0 110.11 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.95 123.15 25.39 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 47.5 p-10 -82.55 171.74 13.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.855 -1.153 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 36.8 p90 -53.23 -42.89 66.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.427 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 4.7 tp-100 -60.31 -41.02 92.58 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.197 -0.939 . . . . 0.0 109.344 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.654 ' O ' HD11 ' B' ' 60' ' ' LEU . 30.4 mt-10 -67.2 -39.93 86.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.121 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -59.58 -38.87 82.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.993 -1.067 . . . . 0.0 109.336 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.8 tpt -59.93 -34.63 73.49 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 119.194 -1.002 . . . . 0.0 108.832 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.3 69.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 110.189 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.482 ' O ' HG23 ' B' ' 80' ' ' VAL . 53.8 t80 -59.45 -39.95 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.903 -1.123 . . . . 0.0 108.146 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.61 -38.49 79.12 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.07 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.18 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -61.5 -46.24 90.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.79 -0.569 . . . . 0.0 111.459 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.437 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.5 ptt? -70.19 -40.01 74.86 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 118.497 -1.281 . . . . 0.0 110.046 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.491 HG13 HD13 ' Y' ' 10' ' ' ILE . 11.9 t -72.81 -34.56 47.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 120.951 -1.093 . . . . 0.0 108.593 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.7 m -62.79 -39.86 95.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.105 -0.997 . . . . 0.0 108.578 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 79' ' ' MET . 9.7 p -64.52 -39.97 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.0 109.99 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.67 72.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 110.505 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 15.1 p -60.92 -41.12 95.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.08 -1.012 . . . . 0.0 109.839 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.552 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 54.7 t-80 -60.14 -41.04 91.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.645 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.98 -40.68 96.94 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.14 -39.99 88.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.315 -0.866 . . . . 0.0 110.152 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -59.96 -39.93 87.31 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.0 109.131 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' B' ' 91' ' ' GLU . 9.4 tm-20 -65.56 97.99 0.34 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.453 -0.78 . . . . 0.0 108.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -69.94 -40.05 75.72 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.535 -0.728 . . . . 0.0 110.677 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 91' ' ' GLU . 40.1 mp0 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.752 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.062 0.458 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.214 -0.929 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 4.4 m 59.4 60.36 2.34 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.198 -0.939 . . . . 0.0 108.976 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -138.02 167.37 21.93 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.394 -0.816 . . . . 0.0 109.725 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.701 ' C ' HD12 ' X' ' 5' ' ' ILE . 1.6 pp -118.89 156.35 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.514 ' C ' HD12 ' X' ' 5' ' ' ILE . 86.4 m-20 -46.57 89.71 0.0 OUTLIER 'General case' 0 C--N 1.283 -2.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.386 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.548 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -79.88 -24.74 40.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.569 -0.707 . . . . 0.0 109.882 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.698 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER -50.26 -38.56 41.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.817 -1.177 . . . . 0.0 109.109 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.28 -40.08 86.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.507 HD13 HG13 ' A' ' 80' ' ' VAL . 75.6 mt -61.7 -45.03 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.088 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.04 -40.04 88.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.487 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.866 -179.566 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.144 0.497 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.122 -0.986 . . . . 0.0 109.905 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 4.8 m 59.74 60.2 2.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 108.939 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -137.71 167.43 21.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.406 -0.809 . . . . 0.0 109.748 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.722 HD12 ' C ' ' Y' ' 5' ' ' ILE . 1.6 pp -118.84 156.51 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.515 ' C ' HD12 ' Y' ' 5' ' ' ILE . 87.0 m-20 -46.8 89.76 0.0 OUTLIER 'General case' 0 C--N 1.283 -2.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.38 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.544 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -79.86 -24.65 41.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.597 -0.689 . . . . 0.0 109.722 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.692 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -50.22 -38.18 39.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.925 -1.109 . . . . 0.0 109.078 -179.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.94 -39.98 83.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.945 . . . . 0.0 108.959 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.491 HD13 HG13 ' B' ' 80' ' ' VAL . 75.7 mt -61.51 -45.21 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.972 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.97 -39.95 87.4 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.0 109.564 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.81 -179.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.31 -40.03 89.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 108.872 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD22 ' OE1' ' B' ' 39' ' ' GLU . 6.6 tt -59.97 -22.73 62.9 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.122 -0.986 . . . . 0.0 110.705 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.04 -51.79 68.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.816 -1.178 . . . . 0.0 110.405 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.67 -33.66 66.69 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.757 -1.214 . . . . 0.0 108.77 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.01 94.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.0 ttm -60.4 -40.04 89.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.097 -1.002 . . . . 0.0 109.294 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.01 -40.08 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.51 -46.17 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.945 -0.702 . . . . 0.0 109.318 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.16 -40.32 95.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.038 -1.039 . . . . 0.0 109.403 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.07 -47.19 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.031 -1.043 . . . . 0.0 109.561 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.99 -40.02 75.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.822 -1.174 . . . . 0.0 109.867 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' ALA . 38.3 t -58.94 -36.1 59.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.99 -48.54 81.28 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.435 -0.791 . . . . 0.0 109.551 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -70.0 -31.87 69.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.58 -0.7 . . . . 0.0 111.718 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.99 -43.94 94.83 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.925 -1.109 . . . . 0.0 111.155 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' HD22 ' A' ' 35' ' ' LEU . 97.5 m-85 -94.47 -31.04 14.13 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.816 -1.177 . . . . 0.0 110.346 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 24' ' ' LYS . 45.5 t -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 109.285 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.51 2.86 65.43 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.235 -1.156 . . . . 0.0 108.912 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' GLY . 81.1 tt0 -144.52 168.67 19.58 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -51.0 -173.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.024 -1.231 . . . . 0.0 110.024 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 26' ' ' LYS . 74.0 m-20 56.45 52.46 9.9 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.318 -1.107 . . . . 0.0 108.913 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 97.9 mttt -60.03 -32.5 70.95 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.445 -0.785 . . . . 0.0 110.336 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.97 -19.94 62.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 0.0 110.371 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 23' ' ' ASP . 99.3 mttt -129.71 153.37 48.23 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.198 -0.939 . . . . 0.0 109.668 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.4 mt -113.41 128.75 56.56 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.221 -0.924 . . . . 0.0 109.564 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LYS . 38.0 ttpt -92.81 156.52 16.94 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 33.7 mtmt -42.77 -42.0 3.41 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.318 -0.864 . . . . 0.0 109.842 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -63.55 -40.03 95.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.277 -0.889 . . . . 0.0 109.726 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -69.76 -39.96 76.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.057 -1.027 . . . . 0.0 109.889 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD22 ' SD ' ' A' ' 57' ' ' MET . 22.2 tp -70.02 -29.01 65.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.052 -1.03 . . . . 0.0 108.7 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -58.56 -40.04 81.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.236 -0.915 . . . . 0.0 108.611 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.55 -40.05 92.42 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -57.9 -53.79 54.27 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-O 121.939 0.876 . . . . 0.0 108.949 -179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.97 -42.94 79.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.205 -0.935 . . . . 0.0 112.273 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' C ' HD22 ' A' ' 38' ' ' ASN . 39.4 t30 -73.6 -30.18 62.84 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.157 -1.589 . . . . 0.0 111.537 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.726 HD22 ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -90.94 -17.2 26.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.031 -1.043 . . . . 0.0 110.666 -177.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' OE1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -107.6 -30.09 8.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' SER . 13.7 mt -113.32 32.41 5.78 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.282 -0.886 . . . . 0.0 108.727 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' LEU . 68.5 m -43.44 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.321 -0.862 . . . . 0.0 111.035 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -101.99 -16.7 16.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.202 -0.936 . . . . 0.0 110.27 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.32 -30.03 70.83 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.186 -0.947 . . . . 0.0 109.147 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD22 ' HE1' ' X' ' 7' ' ' TRP . 5.9 mt -141.6 -158.82 0.9 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.359 -0.838 . . . . 0.0 108.85 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 1.1 tm-20 -49.26 138.47 12.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.027 -1.046 . . . . 0.0 109.854 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 17.5 pt-20 -103.68 128.24 51.04 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' A' ' 52' ' ' VAL . 44.4 mm -94.49 112.86 27.89 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.964 0.887 . . . . 0.0 110.035 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 -12.37 6.74 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 51.8 tp10 -124.19 140.05 53.33 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -66.9 -21.81 65.98 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.056 -1.027 . . . . 0.0 110.134 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.9 pt-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.329 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' A' ' 47' ' ' ILE . 29.8 t -61.52 -50.01 82.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.31 -42.47 90.78 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.037 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.156 -1.018 . . . . 0.0 108.968 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -68.01 -39.47 83.19 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' VAL . 44.3 t -70.02 -36.74 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 62.2 mmm -70.54 -39.9 73.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.07 -26.93 65.05 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -71.78 -38.44 70.31 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.403 0.621 . . . . 0.0 109.469 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.55 -60.41 1.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.1 t0 -74.86 57.15 0.77 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.21 2.76 1.44 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.6 m-20 -76.7 -32.11 57.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 10.62 79.26 Favored Glycine 0 N--CA 1.486 2.013 0 N-CA-C 107.601 -2.2 . . . . 0.0 107.601 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 54.5 p-10 -83.75 2.84 36.01 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.537 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.57 33.84 86.34 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.983 -2.047 . . . . 0.0 107.983 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.7 tp10 -142.27 143.04 32.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.569 -0.959 . . . . 0.0 110.373 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 t -126.72 124.44 39.78 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 41.0 p-10 -88.49 172.82 9.07 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 108.851 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 29.5 p90 -58.3 -40.03 80.89 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.089 -1.007 . . . . 0.0 109.179 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 54.6 tt0 -60.04 -42.64 94.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.132 -0.98 . . . . 0.0 109.401 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 81.5 mt-10 -70.01 -39.99 75.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.988 -1.07 . . . . 0.0 109.971 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.28 -39.91 88.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.266 -0.896 . . . . 0.0 109.954 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.0 mmm -60.02 -34.8 73.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 0.0 108.905 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.45 -27.91 68.19 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.99 -41.66 92.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.998 -1.064 . . . . 0.0 108.638 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -61.57 -44.15 98.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 t -60.05 -47.89 83.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.489 0.662 . . . . 0.0 109.442 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.18 -45.11 95.94 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.767 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.85 -29.61 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.78 -1.2 . . . . 0.0 108.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 73.1 m -67.59 -40.0 84.81 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -67.58 -40.03 84.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.62 -0.675 . . . . 0.0 109.845 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.36 98.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.859 -1.151 . . . . 0.0 109.192 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 55.9 m -64.84 -47.13 79.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.324 -0.86 . . . . 0.0 109.041 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -60.03 -40.9 90.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.754 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.9 -39.99 91.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.301 -0.874 . . . . 0.0 110.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.11 107.03 0.8 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.912 -1.118 . . . . 0.0 108.499 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -96.84 -159.14 0.71 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.375 -0.828 . . . . 0.0 109.374 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -97.2 111.12 23.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.412 -0.805 . . . . 0.0 109.97 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -60.28 -41.05 92.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.571 -0.706 . . . . 0.0 109.928 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.558 -179.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.172 0.511 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.4 -39.96 89.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.187 -0.945 . . . . 0.0 108.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.472 HD22 ' OE1' ' A' ' 39' ' ' GLU . 6.6 tt -60.05 -22.75 63.08 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 110.691 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.9 -51.96 67.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.811 -1.181 . . . . 0.0 110.446 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.61 66.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.724 -1.235 . . . . 0.0 108.785 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.2 95.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -0.847 . . . . 0.0 109.484 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.15 -40.07 88.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.081 -1.012 . . . . 0.0 109.335 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.94 -40.33 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.19 -46.58 86.42 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.95 -40.2 94.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.063 -1.023 . . . . 0.0 109.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.21 -46.95 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.008 -1.058 . . . . 0.0 109.606 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -70.07 -39.97 75.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.788 -1.195 . . . . 0.0 109.933 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 9' ' ' ALA . 39.5 t -59.01 -36.08 60.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.98 -48.67 80.77 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.546 -0.721 . . . . 0.0 109.517 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -70.0 -31.7 69.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.633 -0.667 . . . . 0.0 111.723 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.04 -44.19 94.81 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.92 -1.112 . . . . 0.0 111.045 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.526 ' CD2' HD22 ' B' ' 35' ' ' LEU . 97.4 m-85 -94.33 -30.86 14.3 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.81 -1.181 . . . . 0.0 110.437 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 24' ' ' LYS . 45.1 t -59.99 -40.04 87.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.901 -1.124 . . . . 0.0 109.327 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.62 3.0 65.23 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -1.168 . . . . 0.0 108.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLY . 81.1 tt0 -144.42 168.5 19.95 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -50.75 -173.44 0.01 OUTLIER Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' B' ' 26' ' ' LYS . 73.8 m-20 56.18 52.23 10.59 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -1.099 . . . . 0.0 109.045 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 18' ' ' SER . 97.8 mttt -59.98 -32.19 70.61 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -71.11 -19.92 62.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.121 -0.987 . . . . 0.0 110.328 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 23' ' ' ASP . 99.0 mttt -129.79 153.41 48.26 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.152 -0.968 . . . . 0.0 109.703 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -113.54 128.64 56.51 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' B' ' 29' ' ' LYS . 38.0 ttpt -92.61 156.52 17.05 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 33.4 mtmt -43.02 -41.73 3.56 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.303 -0.873 . . . . 0.0 109.773 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -63.64 -40.03 95.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.721 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.834 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.489 HD22 ' SD ' ' B' ' 57' ' ' MET . 22.9 tp -69.96 -29.06 66.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.065 -1.022 . . . . 0.0 108.714 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.63 -40.04 82.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -65.57 -39.98 92.27 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -57.81 -53.81 54.0 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.899 0.856 . . . . 0.0 108.956 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.04 -42.61 79.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 O-C-N 121.272 -0.892 . . . . 0.0 112.308 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' C ' HD22 ' B' ' 38' ' ' ASN . 39.1 t30 -74.06 -29.99 62.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.155 -1.591 . . . . 0.0 111.431 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.749 HD22 ' N ' ' B' ' 38' ' ' ASN . 0.9 OUTLIER -90.94 -17.2 26.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.022 -1.049 . . . . 0.0 110.605 -177.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.454 ' OE1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -107.55 -30.12 8.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.341 -0.849 . . . . 0.0 109.399 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 mt -113.27 32.35 5.82 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.24 -0.912 . . . . 0.0 108.779 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 69.4 m -43.18 -93.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.312 -0.868 . . . . 0.0 111.092 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -102.21 -16.27 16.39 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.14 -0.975 . . . . 0.0 110.287 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.85 -30.07 70.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.047 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.45 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 5.7 mt -141.37 -158.83 0.9 Allowed 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 1.1 tm-20 -49.21 138.26 12.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.977 -1.077 . . . . 0.0 109.837 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 17.6 pt-20 -103.52 128.27 50.77 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.493 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -94.6 112.63 27.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.212 0 CA-C-O 121.941 0.877 . . . . 0.0 110.17 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -12.11 6.79 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 51.5 tp10 -124.3 139.98 53.39 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -67.15 -21.8 65.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 110.078 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.8 pt-20 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -0.876 . . . . 0.0 109.317 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.493 HG11 ' CD1' ' B' ' 47' ' ' ILE . 34.2 t -61.69 -49.98 82.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.27 -42.33 90.15 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.043 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -68.36 -45.1 73.71 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.893 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -67.69 -39.32 84.45 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 52' ' ' VAL . 42.2 t -69.98 -37.01 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.34 -40.0 74.35 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.03 -26.45 64.58 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -72.18 -38.59 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.42 0.629 . . . . 0.0 109.453 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -99.22 -60.85 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.8 t0 -74.57 57.23 0.72 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -67.28 2.57 1.58 Allowed 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.8 m-20 -76.42 -31.99 58.24 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 177.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.43 10.57 79.6 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.631 -2.187 . . . . 0.0 107.631 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 54.4 p-10 -83.64 2.49 37.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.89 33.36 85.18 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.7 tp10 -141.83 143.21 33.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.626 -0.926 . . . . 0.0 110.359 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.05 124.58 39.63 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 41.2 p-10 -88.43 172.88 9.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 0.0 108.796 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 29.9 p90 -58.31 -40.27 81.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.144 -0.972 . . . . 0.0 109.225 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 55.2 tt0 -59.96 -42.68 94.64 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 109.396 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 81.2 mt-10 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.948 -1.095 . . . . 0.0 109.928 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.17 -40.02 88.47 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.904 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.98 -34.64 73.58 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.032 . . . . 0.0 109.054 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.88 67.99 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.924 -1.11 . . . . 0.0 109.648 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.98 -41.76 92.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.962 -1.086 . . . . 0.0 108.589 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -61.54 -44.1 98.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -60.09 -47.74 84.61 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.503 0.668 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 63.7 ttp -61.23 -45.22 95.44 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.437 -0.789 . . . . 0.0 110.741 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -79.85 -29.16 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.767 -1.208 . . . . 0.0 108.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' B' ' 77' ' ' VAL . 73.7 m -68.01 -40.04 83.07 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.0 p -67.34 -40.13 85.86 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.728 -0.607 . . . . 0.0 109.797 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.32 98.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.863 -1.148 . . . . 0.0 109.23 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 47.2 m -64.94 -46.95 79.43 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.29 -0.881 . . . . 0.0 109.02 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.804 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.79 -39.95 90.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.26 106.96 0.81 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.905 -1.122 . . . . 0.0 108.523 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -96.82 -159.32 0.73 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.303 -0.873 . . . . 0.0 109.303 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -96.87 111.05 23.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.525 -0.734 . . . . 0.0 109.969 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -60.22 -40.9 91.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.522 -0.737 . . . . 0.0 109.993 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.599 -179.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.416 0.627 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 51.96 40.1 27.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.4 -0.813 . . . . 0.0 109.78 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -124.74 11.61 8.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.418 -0.801 . . . . 0.0 109.07 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -69.96 146.29 51.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.517 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.9 pp -101.44 -163.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.365 -0.834 . . . . 0.0 109.664 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.517 ' N ' HD12 ' X' ' 5' ' ' ILE . 8.8 p-10 -80.01 69.11 6.32 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.776 0.798 . . . . 0.0 110.872 -177.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.482 ' HE1' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.5 -24.76 61.21 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.356 -0.84 . . . . 0.0 110.015 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -54.74 -39.97 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.722 -1.236 . . . . 0.0 108.707 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -62.89 -40.03 96.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 108.884 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' X' ' 7' ' ' TRP . 91.1 mt -60.74 -40.1 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.47 -0.769 . . . . 0.0 110.944 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.98 -40.06 87.82 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.036 -1.04 . . . . 0.0 109.068 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.301 -1.506 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.582 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.313 0.577 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 52.04 40.07 27.65 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.361 -0.837 . . . . 0.0 109.747 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 2.8 t -124.62 11.41 8.53 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.454 -0.779 . . . . 0.0 109.085 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -70.0 146.25 51.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.37 -0.831 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.514 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.9 pp -101.34 -162.94 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.386 -0.821 . . . . 0.0 109.753 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.514 ' N ' HD12 ' Y' ' 5' ' ' ILE . 8.8 p-10 -80.34 69.16 6.73 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.799 0.809 . . . . 0.0 110.813 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.45 ' HE1' HD22 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -72.51 -24.79 61.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.312 -0.868 . . . . 0.0 109.949 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -54.71 -40.0 68.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.715 -1.24 . . . . 0.0 108.716 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -62.87 -39.99 96.13 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 108.869 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 93.9 mt -60.83 -40.14 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.486 -0.759 . . . . 0.0 110.989 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 60.5 mt -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.896 -1.127 . . . . 0.0 109.233 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.3 -1.563 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.544 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.208 0.528 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.2 -39.61 95.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.203 -0.936 . . . . 0.0 108.96 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.42 -27.0 68.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.957 -1.089 . . . . 0.0 110.344 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 86.4 tt0 -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.997 -1.064 . . . . 0.0 110.556 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -68.95 -39.2 79.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.776 -1.203 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.27 97.74 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.206 -0.934 . . . . 0.0 109.955 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.95 -42.74 94.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.907 -1.12 . . . . 0.0 109.365 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.96 -40.02 81.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -62.16 -45.25 94.24 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.634 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.87 -40.43 95.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.805 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.11 -45.03 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.0 109.727 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -70.02 -40.07 75.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.085 -1.01 . . . . 0.0 110.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' ALA . 48.1 t -57.97 -34.15 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 74.8 t80 -60.01 -47.15 87.02 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.234 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.15 -37.83 75.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.565 -0.71 . . . . 0.0 112.305 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.96 -42.03 93.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.784 -1.197 . . . . 0.0 112.349 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.16 -33.78 11.92 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.661 -1.274 . . . . 0.0 110.83 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.3 p -60.57 -40.0 90.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.818 -1.176 . . . . 0.0 110.198 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.27 4.02 64.57 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -60.01 -47.53 85.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -1.173 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 91.6 mt-10 -150.03 165.14 33.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.083 -1.011 . . . . 0.0 110.192 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.01 -156.13 1.51 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -79.47 146.35 32.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -1.024 . . . . 0.0 109.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -79.92 -9.11 59.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.5 -0.75 . . . . 0.0 110.31 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.18 -25.67 60.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.955 -1.091 . . . . 0.0 110.99 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -131.39 153.9 49.19 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.095 -1.003 . . . . 0.0 110.07 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -115.33 126.31 54.29 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.522 -0.736 . . . . 0.0 109.672 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.6 tttp -96.64 152.14 18.93 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.177 -0.952 . . . . 0.0 108.86 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' LYS . 10.3 ttmm -35.29 -49.86 0.52 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.915 -0.491 . . . . 0.0 110.668 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.1 m -60.76 -40.44 92.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.946 -1.097 . . . . 0.0 110.452 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 99.0 mt-10 -70.04 -40.0 75.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.705 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' LEU . 13.7 tp -64.85 -40.02 94.49 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.874 -1.141 . . . . 0.0 108.15 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -48.91 -40.91 31.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 0.0 108.74 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -62.27 -40.77 97.31 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -60.05 -47.7 84.77 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 47' ' ' ILE . 5.1 mm -71.98 -48.74 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 111.606 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 42.0 p30 -74.94 -21.29 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.249 -1.532 . . . . 0.0 111.897 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.602 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -91.06 -52.09 5.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.868 -1.145 . . . . 0.0 111.132 -178.688 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' C ' HD22 ' A' ' 40' ' ' LEU . 98.6 mt-10 -85.49 -39.97 16.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.033 -1.042 . . . . 0.0 111.51 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 40' ' ' LEU . 1.8 mm? -97.85 24.52 6.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.273 -0.892 . . . . 0.0 108.753 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 40' ' ' LEU . 48.9 m -41.73 -103.58 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.487 0.66 . . . . 0.0 111.775 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 49.9 t-80 -97.28 -8.26 30.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.952 -1.093 . . . . 0.0 110.11 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.517 ' CD1' ' OE2' ' B' ' 4' ' ' GLU . 68.1 m-85 -65.84 -38.73 89.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 110.085 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 4.7 tp -126.75 -57.17 1.36 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.388 -0.82 . . . . 0.0 110.119 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 40' ' ' LEU . 9.1 tm-20 -143.22 125.11 15.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.006 -1.059 . . . . 0.0 110.06 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -90.07 119.97 30.87 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 HG21 ' A' ' 36' ' ' ILE . 6.7 mm -88.79 120.02 36.88 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 CA-C-O 122.415 1.102 . . . . 0.0 109.864 -177.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.676 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -127.36 -19.17 4.31 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -121.71 146.52 46.95 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.718 . . . . 0.0 110.482 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.99 -20.03 63.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 15.4 pt-20 -60.02 -41.87 93.09 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.551 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.6 t -61.3 -50.07 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.3 t -61.11 -47.94 91.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.111 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -60.38 -44.25 95.81 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.934 -1.104 . . . . 0.0 109.571 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 59' ' ' THR . 80.0 mttt -70.01 -39.8 75.61 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.215 -0.928 . . . . 0.0 108.928 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 52' ' ' VAL . 54.5 t -73.83 -33.74 38.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-O 121.698 0.761 . . . . 0.0 109.092 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 53' ' ' VAL . 13.4 tpt -71.4 -42.88 67.78 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.44 -31.14 71.08 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 10.4 m -64.2 -29.06 70.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 28.7 mt -106.56 -40.32 5.59 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' ASP . 15.3 t0 -74.71 49.95 0.42 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -67.88 8.65 0.37 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' ASP . 93.8 m-20 -92.29 -24.15 19.06 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.01 6.32 89.55 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 40.0 p-10 -93.78 7.56 44.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.039 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.16 37.15 91.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -144.11 155.6 44.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.372 -1.075 . . . . 0.0 110.04 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 8.9 t -131.64 118.8 20.54 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -85.76 170.85 12.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 110.201 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -47.41 -48.04 26.4 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.74 -39.99 95.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.295 -0.878 . . . . 0.0 109.853 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 47.0 mt-10 -69.99 -41.52 74.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.995 . . . . 0.0 109.986 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 68' ' ' CYS . 11.8 t80 -69.92 -37.37 75.91 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.02 -32.46 70.9 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.34 65.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.12 -0.988 . . . . 0.0 109.281 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 80' ' ' VAL . 86.5 t80 -59.98 -40.32 88.7 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 81' ' ' THR . 0.8 OUTLIER -64.14 -47.99 87.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -60.07 -48.87 79.93 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.417 0.627 . . . . 0.0 110.281 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HG23 ' X' ' 10' ' ' ILE . 13.8 tmm? -63.34 -42.13 98.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.355 -0.84 . . . . 0.0 110.571 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 76' ' ' PHE . 19.0 t -81.16 -29.65 11.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.989 -1.069 . . . . 0.0 109.174 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 53.9 m -65.44 -40.02 92.75 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.946 -1.096 . . . . 0.0 108.434 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 p -70.19 -39.51 75.18 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.605 -0.684 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.01 -45.76 91.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.978 -1.076 . . . . 0.0 110.426 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 81' ' ' THR . 1.8 p -66.8 -44.41 81.3 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.666 -1.271 . . . . 0.0 108.564 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -61.38 -40.36 94.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 109.613 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.0 -15.74 61.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.396 -0.815 . . . . 0.0 110.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.92 -39.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.069 . . . . 0.0 109.636 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.4 140.0 55.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 54.35 75.21 0.3 Allowed 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -59.94 -40.05 87.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.473 -0.767 . . . . 0.0 110.181 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.342 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.12 -39.94 96.15 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.199 -0.938 . . . . 0.0 109.014 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.32 -26.87 68.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 110.309 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.517 ' OE2' ' CD1' ' A' ' 43' ' ' PHE . 86.5 tt0 -60.03 -49.99 75.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.005 -1.059 . . . . 0.0 110.583 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -68.95 -39.41 79.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.736 -1.228 . . . . 0.0 109.594 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.52 98.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.28 -0.888 . . . . 0.0 110.029 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.5 ttm -60.01 -42.71 94.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.88 -1.137 . . . . 0.0 109.427 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.0 -40.0 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -62.02 -45.05 95.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.621 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.26 -40.21 95.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.945 . . . . 0.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.47 -44.85 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.194 -0.941 . . . . 0.0 109.664 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -69.98 -40.0 75.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.115 -0.991 . . . . 0.0 110.426 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 9' ' ' ALA . 50.2 t -57.96 -34.33 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.968 -1.083 . . . . 0.0 108.154 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 74.8 t80 -60.05 -47.07 87.38 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.168 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -70.16 -37.85 75.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.511 -0.743 . . . . 0.0 112.259 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.03 -41.93 93.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.73 -1.231 . . . . 0.0 112.353 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -96.19 -33.69 11.93 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.695 -1.253 . . . . 0.0 110.842 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 94.7 p -60.63 -40.01 90.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.883 -1.136 . . . . 0.0 110.124 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.34 4.06 64.78 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -60.02 -47.49 85.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.284 -1.127 . . . . 0.0 109.471 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 91.6 mt-10 -150.0 165.1 33.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.002 -1.061 . . . . 0.0 110.216 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.94 -155.98 1.52 Allowed Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.54 146.23 32.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -1.059 . . . . 0.0 109.532 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -79.97 -9.03 59.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.477 -0.765 . . . . 0.0 110.203 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -73.13 -25.68 60.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.95 -1.094 . . . . 0.0 111.012 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -131.41 153.88 49.24 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.053 -1.03 . . . . 0.0 110.02 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.8 mt -115.35 126.32 54.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.573 -0.704 . . . . 0.0 109.681 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' B' ' 29' ' ' LYS . 25.1 tttp -96.7 152.07 19.02 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.191 -0.943 . . . . 0.0 108.82 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 28' ' ' LYS . 10.7 ttmm -35.12 -49.92 0.49 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.963 -0.461 . . . . 0.0 110.72 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.68 -40.46 92.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.934 -1.103 . . . . 0.0 110.445 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 28' ' ' LYS . 97.9 mt-10 -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.962 -1.086 . . . . 0.0 109.762 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' B' ' 35' ' ' LEU . 13.1 tp -64.87 -40.01 94.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.977 -1.077 . . . . 0.0 108.189 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -48.93 -40.82 31.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.224 -0.922 . . . . 0.0 108.807 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -62.26 -40.71 97.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -60.04 -47.66 84.95 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.511 HG21 HD11 ' B' ' 47' ' ' ILE . 5.1 mm -72.15 -48.61 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.909 -1.12 . . . . 0.0 111.548 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 42.1 p30 -75.13 -21.27 58.96 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.286 -1.508 . . . . 0.0 111.805 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.595 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.1 OUTLIER -91.07 -52.09 5.01 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.875 -1.14 . . . . 0.0 111.006 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.481 ' C ' HD22 ' B' ' 40' ' ' LEU . 98.8 mt-10 -85.49 -39.96 16.88 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.007 -1.058 . . . . 0.0 111.589 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.732 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.9 mm? -97.8 24.41 6.89 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.285 -0.884 . . . . 0.0 108.753 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.475 ' O ' ' O ' ' B' ' 40' ' ' LEU . 50.6 m -41.81 -103.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.423 0.63 . . . . 0.0 111.805 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 42' ' ' HIS . 49.8 t-80 -97.14 -8.16 30.81 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.985 -1.072 . . . . 0.0 110.113 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 68.0 m-85 -66.06 -38.44 88.32 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.063 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.646 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 4.7 tp -127.07 -57.17 1.32 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.168 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 40' ' ' LEU . 9.0 tm-20 -142.92 125.02 15.3 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.994 -1.066 . . . . 0.0 109.961 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -90.13 120.02 30.95 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.511 HD11 HG21 ' B' ' 36' ' ' ILE . 6.9 mm -88.7 119.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-O 122.431 1.11 . . . . 0.0 109.966 -177.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.67 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -127.35 -19.13 4.32 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -121.8 146.6 46.91 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.64 0.733 . . . . 0.0 110.388 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -70.01 -20.0 63.29 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.6 pt-20 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.512 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.421 HG23 ' H ' ' B' ' 52' ' ' VAL . 1.6 t -61.2 -50.11 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.3 t -61.05 -48.09 90.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.131 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.36 -44.31 95.69 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.889 -1.132 . . . . 0.0 109.557 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.99 -39.69 75.75 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.981 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.5 t -73.72 -33.98 39.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 121.608 0.718 . . . . 0.0 109.089 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.556 ' N ' ' O ' ' B' ' 53' ' ' VAL . 13.6 tpt -71.22 -42.94 68.27 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.42 -31.15 71.07 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.6 m -64.22 -29.01 70.14 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 34.8 mt -106.52 -40.46 5.56 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 63' ' ' ASP . 15.3 t0 -74.83 50.04 0.44 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.95 8.76 0.36 Allowed 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.9 m-20 -92.44 -24.16 18.92 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.99 6.23 89.61 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 40.2 p-10 -93.74 7.67 43.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.416 -1.05 . . . . 0.0 109.025 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.407 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.01 37.2 91.89 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.97 155.45 44.04 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.404 -1.056 . . . . 0.0 110.112 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.3 t -131.53 118.88 20.75 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.83 170.83 12.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.071 -1.018 . . . . 0.0 110.197 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.632 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -47.4 -48.12 26.28 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.77 -39.99 95.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.769 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.8 mt-10 -69.99 -41.59 74.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.1 -1.0 . . . . 0.0 109.956 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.593 ' N ' ' SG ' ' B' ' 68' ' ' CYS . 12.2 t80 -69.65 -37.53 76.78 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 18.4 tpt -59.94 -32.52 70.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.39 65.29 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.373 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.516 ' O ' HG23 ' B' ' 80' ' ' VAL . 86.7 t80 -60.02 -40.08 88.06 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.18 -48.06 87.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 60.3 p -60.03 -49.07 79.11 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.418 0.628 . . . . 0.0 110.271 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.709 ' SD ' HG23 ' Y' ' 10' ' ' ILE . 13.7 tmm? -63.37 -41.95 98.83 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 110.589 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 76' ' ' PHE . 18.3 t -81.22 -29.77 11.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.07 -1.019 . . . . 0.0 109.096 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.515 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 51.7 m -65.34 -39.94 93.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.031 -1.043 . . . . 0.0 108.499 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.0 p -70.38 -39.37 74.59 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.677 -0.639 . . . . 0.0 109.968 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -60.03 -45.88 91.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.933 -1.104 . . . . 0.0 110.349 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' B' ' 81' ' ' THR . 1.8 p -66.67 -44.65 81.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.727 -1.233 . . . . 0.0 108.57 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -61.12 -40.63 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 0.0 109.566 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.89 -15.66 61.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.95 -40.03 87.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.905 -1.122 . . . . 0.0 109.616 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -68.26 139.98 56.0 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 54.31 75.2 0.3 Allowed 'General case' 0 C--N 1.284 -2.259 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -59.95 -40.01 87.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 110.222 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.372 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -100.0 119.9 38.98 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.256 -0.903 . . . . 0.0 109.51 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -163.82 133.4 4.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -0.865 . . . . 0.0 109.565 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -163.02 159.96 23.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 0.0 108.853 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.403 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.2 pp -100.09 -161.23 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.159 -0.963 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.403 ' N ' HD12 ' X' ' 5' ' ' ILE . 16.3 p-10 -88.86 60.59 5.57 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.505 -0.747 . . . . 0.0 110.837 -178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.566 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.85 -24.92 66.2 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.76 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 0.4 OUTLIER -59.21 -40.02 84.49 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 -179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.36 -40.42 97.22 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.706 HG23 ' SD ' ' A' ' 79' ' ' MET . 80.3 mt -63.05 -40.12 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.505 -0.747 . . . . 0.0 109.848 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER -59.85 -39.95 86.88 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.355 179.559 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -100.03 120.03 39.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.344 -0.848 . . . . 0.0 109.473 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -164.09 132.77 3.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.415 -0.803 . . . . 0.0 109.597 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -162.35 159.98 26.03 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.853 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.416 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.3 pp -100.11 -161.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.145 -0.972 . . . . 0.0 109.218 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.416 ' N ' HD12 ' Y' ' 5' ' ' ILE . 16.3 p-10 -88.95 60.62 5.55 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.463 -0.773 . . . . 0.0 110.866 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.646 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.0 OUTLIER -66.91 -24.85 66.14 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.759 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 0.4 OUTLIER -59.23 -39.97 84.39 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -63.48 -40.23 96.57 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.709 HG23 ' SD ' ' B' ' 79' ' ' MET . 81.6 mt -63.17 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.791 . . . . 0.0 109.886 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.04 -39.35 85.63 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.28 179.505 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.369 0.604 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.35 -40.01 89.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.0 -31.78 70.24 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.088 -1.008 . . . . 0.0 110.69 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' OE2' ' CG ' ' B' ' 43' ' ' PHE . 86.3 tt0 -60.0 -51.77 68.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.64 72.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.654 -1.278 . . . . 0.0 109.09 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.99 96.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.362 -0.836 . . . . 0.0 109.305 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 46.1 ttm -60.06 -38.43 82.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.491 -0.755 . . . . 0.0 109.675 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.87 -39.97 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.09 -42.02 99.52 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.68 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' B' ' 10' ' ' LEU . 91.1 mt -63.27 -39.98 96.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.285 -0.884 . . . . 0.0 110.004 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -67.45 -40.06 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.089 -1.007 . . . . 0.0 109.605 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -70.06 -39.56 75.59 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.981 -1.074 . . . . 0.0 109.512 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 9' ' ' ALA . 55.8 t -59.3 -37.97 72.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -54.17 -50.03 67.94 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.028 -1.045 . . . . 0.0 109.729 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 15' ' ' HIS . 35.2 t-80 -79.06 -24.67 43.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.273 -0.892 . . . . 0.0 111.29 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.99 -44.53 94.44 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.045 -1.035 . . . . 0.0 111.62 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CD2' HD23 ' A' ' 35' ' ' LEU . 31.8 p90 -105.33 -29.32 10.35 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 120.893 -1.129 . . . . 0.0 111.157 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 t -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.841 -1.162 . . . . 0.0 109.858 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.47 64.1 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.826 -1.309 . . . . 0.0 109.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 20' ' ' ARG . 36.1 ttt-85 -62.17 -47.73 83.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.879 -1.365 . . . . 0.0 109.233 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 95.5 mt-10 -149.84 159.98 43.94 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.402 -0.811 . . . . 0.0 109.495 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.0 -171.02 32.35 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -81.96 158.08 24.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.44 -1.036 . . . . 0.0 109.386 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' NZ ' ' CD2' ' A' ' 15' ' ' HIS . 49.1 mtpt -80.0 -10.34 59.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -74.03 -35.7 64.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.512 -0.742 . . . . 0.0 110.665 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -130.03 157.96 40.92 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.242 -0.911 . . . . 0.0 110.58 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -119.58 126.29 50.84 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -84.72 158.58 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 108.909 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -50.92 -37.31 43.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.736 -1.227 . . . . 0.0 108.439 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.2 p -62.89 -42.82 99.91 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.385 -0.822 . . . . 0.0 109.703 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' A' ' 21' ' ' GLU . 84.7 mt-10 -70.0 -40.01 75.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.114 -0.991 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -68.78 -32.75 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 0.0 108.204 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.07 -40.05 84.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -65.89 -41.51 91.44 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -60.02 -50.0 75.44 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.624 -0.672 . . . . 0.0 109.488 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.01 -40.19 67.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.594 -1.316 . . . . 0.0 110.692 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.708 HD22 ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.57 -25.47 57.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.351 -1.468 . . . . 0.0 110.697 -178.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.708 ' N ' HD22 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -89.71 -30.02 18.34 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.923 -1.111 . . . . 0.0 111.061 -178.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 13.8 mp0 -95.53 -20.07 19.3 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.218 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 41' ' ' SER . 14.1 mt -112.89 56.97 0.67 Allowed 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.102 -0.999 . . . . 0.0 108.465 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 40' ' ' LEU . 22.7 t -49.07 -99.15 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 110.076 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -111.93 -4.03 14.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.359 -0.838 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.502 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 87.0 m-85 -69.99 -29.97 67.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.392 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD22 ' HE1' ' X' ' 7' ' ' TRP . 7.7 mt -136.52 -159.32 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 138.38 11.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.117 -0.989 . . . . 0.0 110.261 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 41' ' ' SER . 18.0 tp10 -99.62 120.13 39.18 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 mm -92.84 118.17 37.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 122.197 0.999 . . . . 0.0 109.464 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.561 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.76 -10.77 1.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -122.93 149.35 44.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.631 -0.668 . . . . 0.0 110.0 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.2 -22.79 62.89 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 8.2 pt-20 -60.03 -43.12 95.54 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.484 -0.76 . . . . 0.0 110.478 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 47' ' ' ILE . 36.3 t -63.66 -46.86 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' MET . 39.6 t -59.99 -45.48 95.31 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.726 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -61.95 -46.89 87.31 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.618 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -69.38 -38.5 78.05 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.74 -36.79 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.1 mmm -70.02 -41.03 74.85 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.15 -31.05 71.49 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.334 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.26 -54.39 2.62 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' MET . 27.7 t0 -82.29 58.22 3.96 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.74 2.07 2.14 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.997 0.903 . . . . 0.0 108.743 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 61' ' ' ASP . 87.0 m-20 -73.67 -34.02 64.73 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.27 10.05 84.2 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 106.896 -2.481 . . . . 0.0 106.896 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.2 p-10 -79.65 1.4 26.39 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.72 29.93 76.58 Favored Glycine 0 N--CA 1.485 1.921 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.2 mt-10 -142.88 153.48 43.19 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.513 -0.993 . . . . 0.0 110.171 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 1.3 t -130.05 123.04 29.54 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -81.17 165.45 21.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.111 -0.993 . . . . 0.0 109.173 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.64 -40.02 62.35 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.025 -1.047 . . . . 0.0 108.905 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.25 -40.7 97.05 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.08 -1.012 . . . . 0.0 109.494 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -70.12 -40.32 74.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.981 -1.074 . . . . 0.0 109.86 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.513 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.7 t80 -65.93 -39.99 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.2 -32.62 71.26 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.78 65.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.291 -0.881 . . . . 0.0 110.305 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.88 -40.68 89.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.883 -1.135 . . . . 0.0 108.248 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 77' ' ' VAL . 0.8 OUTLIER -62.13 -49.78 82.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 108.467 179.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.9 p -63.67 -41.97 98.11 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.413 0.625 . . . . 0.0 109.932 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 ttp -60.96 -45.17 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.823 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 t -80.04 -28.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.325 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.1 m -60.48 -40.05 89.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.766 -1.209 . . . . 0.0 109.132 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.1 p -67.27 -39.98 86.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.606 -0.684 . . . . 0.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.675 ' CB ' HD11 ' X' ' 10' ' ' ILE . . . -60.0 -42.13 93.62 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.272 -0.893 . . . . 0.0 109.703 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 97.9 m -61.48 -40.02 93.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.118 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.533 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 11.7 t-160 -60.04 -39.9 87.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.425 -0.797 . . . . 0.0 109.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 72.4 mm-40 -60.1 -39.94 87.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.045 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -55.87 98.92 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.114 -0.991 . . . . 0.0 109.037 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' O ' ' A' ' 85' ' ' HIS . 60.1 m-85 -115.46 -40.49 3.4 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.399 -0.813 . . . . 0.0 110.238 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -106.18 123.58 48.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.506 -0.746 . . . . 0.0 109.884 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -60.1 -39.96 87.99 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.735 -0.603 . . . . 0.0 109.836 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.693 -179.229 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.333 0.587 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.05 -40.05 88.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.282 -0.886 . . . . 0.0 109.308 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.04 -31.69 70.21 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.046 -1.034 . . . . 0.0 110.763 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.502 ' OE2' ' CG ' ' A' ' 43' ' ' PHE . 86.2 tt0 -60.05 -51.78 68.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.966 -1.084 . . . . 0.0 110.733 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -33.9 72.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.645 -1.285 . . . . 0.0 109.051 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.0 95.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.366 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.98 -38.49 82.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.45 -0.781 . . . . 0.0 109.662 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.89 -39.96 81.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.434 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.09 -42.29 99.59 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.651 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.442 HD11 HD11 ' A' ' 10' ' ' LEU . 91.3 mt -63.11 -40.0 96.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.888 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.41 -40.07 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 0.0 109.6 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.99 -39.55 75.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.049 -1.032 . . . . 0.0 109.455 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 9' ' ' ALA . 55.5 t -59.28 -38.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -53.78 -49.98 67.08 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.07 -1.019 . . . . 0.0 109.799 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' ND1' ' B' ' 15' ' ' HIS . 35.3 t-80 -79.09 -24.72 43.26 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.224 -0.923 . . . . 0.0 111.339 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.96 -44.51 94.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.101 -0.999 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.549 ' CD2' HD23 ' B' ' 35' ' ' LEU . 32.3 p90 -105.31 -29.28 10.38 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.945 -1.097 . . . . 0.0 111.064 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.1 t -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.926 -1.109 . . . . 0.0 109.946 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.83 3.63 63.92 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.3 ttt-85 -62.25 -47.8 82.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.921 -1.341 . . . . 0.0 109.138 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 96.3 mt-10 -149.88 160.05 43.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.388 -0.82 . . . . 0.0 109.485 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.92 -171.52 31.07 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.32 158.05 24.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.443 -1.033 . . . . 0.0 109.485 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.467 ' NZ ' ' CD2' ' B' ' 15' ' ' HIS . 48.6 mtpt -80.01 -10.41 59.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -73.9 -35.78 64.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.437 -0.789 . . . . 0.0 110.685 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -129.99 157.81 41.32 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.238 -0.914 . . . . 0.0 110.65 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -119.54 126.2 50.66 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -84.54 158.82 20.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 108.832 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.24 -37.16 45.49 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.752 -1.217 . . . . 0.0 108.414 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -62.94 -42.85 99.94 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.399 -0.813 . . . . 0.0 109.69 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' B' ' 21' ' ' GLU . 85.8 mt-10 -69.95 -40.05 75.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.133 -0.979 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.57 -33.03 73.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.96 -1.087 . . . . 0.0 108.121 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.79 -39.99 82.72 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -66.15 -41.41 90.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.706 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.9 tm? -60.01 -49.97 75.59 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.555 -0.716 . . . . 0.0 109.453 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.681 -1.262 . . . . 0.0 110.675 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.719 HD22 ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -75.47 -25.37 57.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.445 -1.409 . . . . 0.0 110.701 -178.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.719 ' N ' HD22 ' B' ' 37' ' ' ASN . 0.7 OUTLIER -89.83 -29.97 18.25 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.895 -1.128 . . . . 0.0 111.027 -178.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.487 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 14.1 mp0 -95.67 -20.07 19.21 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.821 -1.174 . . . . 0.0 109.866 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 41' ' ' SER . 13.7 mt -112.66 56.45 0.67 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.092 -1.005 . . . . 0.0 108.42 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.9 t -48.85 -99.17 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -111.76 -4.13 14.75 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.47 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 87.0 m-85 -69.95 -30.04 67.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.765 . . . . 0.0 109.39 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -136.57 -159.38 0.95 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 138.31 10.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.129 -0.982 . . . . 0.0 110.27 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 41' ' ' SER . 18.0 tp10 -99.77 120.04 39.1 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.441 ' CD1' HG11 ' B' ' 52' ' ' VAL . 36.7 mm -92.71 118.27 37.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 122.171 0.986 . . . . 0.0 109.575 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.87 -10.68 1.55 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -123.1 149.31 44.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.647 -0.658 . . . . 0.0 110.059 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -70.17 -22.72 62.94 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 8.3 pt-20 -60.01 -43.1 95.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.482 -0.761 . . . . 0.0 110.41 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' B' ' 47' ' ' ILE . 35.6 t -63.62 -46.89 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.2 t -60.0 -45.43 95.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.803 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -62.03 -46.67 88.15 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.219 -0.992 . . . . 0.0 109.662 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.84 -38.26 76.44 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.61 -36.94 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' B' ' 61' ' ' ASP . 77.2 mmm -70.15 -40.67 74.61 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.57 -30.72 71.53 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -68.72 -40.07 80.1 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.084 -0.647 . . . . 0.0 110.283 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -103.47 -54.13 2.65 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 57' ' ' MET . 27.1 t0 -82.34 58.39 4.06 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.85 2.14 2.17 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.003 0.906 . . . . 0.0 108.736 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 61' ' ' ASP . 87.1 m-20 -73.73 -34.05 64.61 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.39 10.1 84.01 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.2 p-10 -79.66 1.48 26.13 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.71 29.83 76.3 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 108.294 -1.922 . . . . 0.0 108.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.2 mt-10 -142.75 153.37 43.23 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.544 -0.974 . . . . 0.0 110.264 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 1.3 t -130.1 122.97 29.32 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.12 165.57 21.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.127 -0.983 . . . . 0.0 109.255 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.74 -40.07 62.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.001 -1.062 . . . . 0.0 108.929 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.2 -40.64 96.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.021 -1.05 . . . . 0.0 109.481 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -70.07 -40.47 75.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.969 -1.082 . . . . 0.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.51 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.7 t80 -65.84 -40.02 91.35 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.11 -32.75 71.28 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.74 65.78 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.307 -0.871 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.96 -40.96 90.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.88 -1.138 . . . . 0.0 108.11 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -49.86 82.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.168 -0.958 . . . . 0.0 108.532 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -63.79 -42.16 97.78 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.396 0.617 . . . . 0.0 109.913 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.3 ttp -60.62 -45.2 94.94 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.866 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.2 t -80.0 -28.78 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.009 -1.057 . . . . 0.0 109.337 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -60.51 -39.98 89.76 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.753 -1.217 . . . . 0.0 109.144 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -67.24 -39.97 86.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.627 -0.67 . . . . 0.0 109.877 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' Y' ' 10' ' ' ILE . . . -59.98 -42.16 93.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.28 -0.888 . . . . 0.0 109.645 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.68 -40.0 93.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.101 -0.999 . . . . 0.0 109.103 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.532 ' O ' ' CZ ' ' B' ' 88' ' ' PHE . 11.7 t-160 -59.99 -39.99 87.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.454 -0.779 . . . . 0.0 109.87 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 72.4 mm-40 -60.03 -39.99 87.8 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.291 -0.881 . . . . 0.0 110.087 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -55.86 99.13 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.159 -0.963 . . . . 0.0 109.041 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' O ' ' B' ' 85' ' ' HIS . 59.7 m-85 -115.69 -40.77 3.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.422 -0.799 . . . . 0.0 110.182 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -105.97 123.55 48.16 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.731 0.776 . . . . 0.0 109.84 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -60.01 -39.98 87.69 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.689 -0.632 . . . . 0.0 109.88 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.695 -179.162 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' X' ' 2' ' ' ARG . 4.0 ptm180 -101.12 139.19 37.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.363 -0.835 . . . . 0.0 109.342 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 74.3 p -133.26 158.39 43.04 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.77 . . . . 0.0 109.448 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -133.76 159.48 40.46 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.923 0.868 . . . . 0.0 110.287 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.619 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -91.18 162.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 178.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.537 ' C ' HD13 ' X' ' 5' ' ' ILE . 9.0 p-10 -65.78 66.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 122.079 0.943 . . . . 0.0 109.479 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.658 ' CD1' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -69.65 -24.73 63.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.676 -0.64 . . . . 0.0 109.757 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -51.63 -40.46 59.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.888 -1.133 . . . . 0.0 109.172 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -60.25 -39.97 88.65 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 108.661 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 83' ' ' ALA . 89.0 mt -63.24 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.023 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.05 -39.98 87.82 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.417 -0.802 . . . . 0.0 108.907 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.657 -179.817 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' Y' ' 2' ' ' ARG . 4.0 ptm180 -101.1 139.12 37.23 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 109.427 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 75.3 p -133.08 158.5 42.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.477 -0.765 . . . . 0.0 109.403 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -133.95 159.42 40.79 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.906 0.86 . . . . 0.0 110.255 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.618 HD11 ' HB1' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -91.11 162.46 2.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 178.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.537 ' C ' HD13 ' Y' ' 5' ' ' ILE . 9.1 p-10 -65.82 66.34 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.288 0 CA-C-O 122.012 0.91 . . . . 0.0 109.464 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.662 ' CD1' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -69.6 -24.71 63.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.72 -0.613 . . . . 0.0 109.766 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -51.73 -40.36 60.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.878 -1.139 . . . . 0.0 109.106 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -60.13 -40.05 88.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.256 -0.902 . . . . 0.0 108.57 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.69 HD11 ' CB ' ' B' ' 83' ' ' ALA . 88.2 mt -63.34 -39.97 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.366 -0.834 . . . . 0.0 110.06 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.02 -39.98 87.71 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 0.0 109.003 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.608 -179.648 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.313 0.578 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.51 -37.23 86.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.0 108.993 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.23 -24.05 67.53 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.965 -1.085 . . . . 0.0 110.824 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.711 -1.243 . . . . 0.0 110.058 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -33.33 71.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.781 -1.2 . . . . 0.0 109.013 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.49 92.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.251 -0.906 . . . . 0.0 109.369 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 62.1 tpp -59.97 -40.69 89.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 0.0 109.039 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -40.12 82.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.78 96.05 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.515 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.13 -39.89 82.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.898 -1.126 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.71 -41.48 90.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.104 -0.998 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.88 -40.46 68.91 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 109.361 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 t -60.02 -32.02 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 56.4 t80 -60.01 -50.0 75.44 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.389 -0.925 . . . . 0.0 109.401 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -72.97 -27.9 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -0.947 . . . . 0.0 111.993 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.01 -40.01 87.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.024 -1.047 . . . . 0.0 111.689 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.47 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 60.6 m-85 -117.01 -21.77 8.75 Favored 'General case' 0 N--CA 1.509 2.495 0 O-C-N 120.989 -1.069 . . . . 0.0 111.508 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 83.0 p -66.56 -36.71 83.33 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.438 -1.414 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.88 8.36 79.9 Favored Glycine 0 N--CA 1.495 2.594 0 C-N-CA 119.606 -1.283 . . . . 0.0 110.565 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -73.69 -40.02 63.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.677 -1.484 . . . . 0.0 109.65 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -147.72 153.02 38.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.27 -0.894 . . . . 0.0 109.111 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.88 -169.25 48.84 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -76.44 150.87 36.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.294 -1.121 . . . . 0.0 109.323 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.07 -39.07 88.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.396 -0.815 . . . . 0.0 109.697 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -79.94 -2.99 46.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.348 -0.845 . . . . 0.0 111.522 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.19 148.15 51.1 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.863 -1.148 . . . . 0.0 110.048 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.3 mt -120.01 112.26 18.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.626 -0.672 . . . . 0.0 109.28 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' OG ' ' A' ' 30' ' ' SER . 24.4 ttpp -84.15 149.58 26.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.982 -1.074 . . . . 0.0 108.503 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LYS . 17.3 ptmt -40.41 -39.97 1.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.723 -0.61 . . . . 0.0 110.468 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.513 ' OG ' ' NZ ' ' A' ' 28' ' ' LYS . 59.5 p -64.68 -44.37 90.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.176 -0.953 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 17' ' ' TYR . 38.1 tt0 -69.32 -32.45 71.58 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.075 -1.016 . . . . 0.0 108.564 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.07 -36.04 79.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.622 -0.674 . . . . 0.0 109.297 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -59.94 -45.31 93.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.442 -0.786 . . . . 0.0 110.086 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.04 -34.44 73.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.039 -1.038 . . . . 0.0 109.693 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.02 -52.31 65.91 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.361 -0.837 . . . . 0.0 109.63 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.97 -43.73 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.01 -38.16 81.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.891 . . . . 0.0 110.979 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' CG ' ' OH ' ' A' ' 17' ' ' TYR . 2.4 t30 -82.75 -36.26 25.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.922 -1.111 . . . . 0.0 111.185 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -77.85 -40.74 39.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.361 -1.462 . . . . 0.0 108.496 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' SER . 11.8 mt -101.47 49.32 0.87 Allowed 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 40' ' ' LEU . 24.7 m -47.25 -93.82 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.154 -0.966 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -116.59 -8.07 11.53 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.417 -0.802 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -69.97 -30.96 68.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 108.716 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.75 -154.79 0.59 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -53.97 134.09 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 109.621 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' O ' ' CE ' ' A' ' 48' ' ' LYS . 86.2 tt0 -106.81 122.29 46.1 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.1 mm -92.04 109.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.966 0.889 . . . . 0.0 110.148 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -127.75 -8.04 5.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 49.9 tp10 -123.49 136.95 54.85 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.2 -23.4 67.3 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.257 -0.902 . . . . 0.0 109.955 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 17.4 pt-20 -59.74 -40.19 87.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.847 . . . . 0.0 110.067 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' VAL . 16.0 t -63.54 -49.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' MET . 4.0 t -59.94 -45.3 95.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.963 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -61.93 -46.11 90.78 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.143 -1.423 . . . . 0.0 108.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.13 -38.98 75.69 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.309 -0.87 . . . . 0.0 109.666 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' VAL . 41.8 t -76.48 -32.86 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 CA-C-O 121.656 0.741 . . . . 0.0 109.092 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 61' ' ' ASP . 9.8 tpt -70.66 -46.0 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.85 -31.45 72.64 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.4 m -69.58 -39.95 77.02 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.533 0.683 . . . . 0.0 109.432 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' O ' ' A' ' 72' ' ' GLU . 20.9 tp -91.12 -57.75 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 57' ' ' MET . 13.5 t0 -82.55 58.07 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -66.94 4.26 0.89 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-O 121.727 0.775 . . . . 0.0 109.247 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.9 m-20 -76.26 -26.72 56.25 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.39 10.05 85.81 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 52.7 p-10 -86.92 0.01 55.76 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.5 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.95 28.39 73.07 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 48.4 mt-10 -146.05 153.81 41.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.407 -1.055 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -129.84 126.51 38.2 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.37 170.05 16.48 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.883 -1.136 . . . . 0.0 109.095 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 32.8 p90 -57.14 -41.02 78.32 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.204 -0.999 . . . . 0.0 108.601 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 20.3 tm0? -59.97 -41.12 91.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.208 -0.932 . . . . 0.0 108.92 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' O ' HD11 ' A' ' 60' ' ' LEU . 43.1 mt-10 -63.13 -40.05 96.47 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.308 -0.87 . . . . 0.0 109.053 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.03 -39.02 84.44 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.5 tpt -59.99 -34.16 72.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.14 71.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 110.577 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.0 -40.05 87.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.717 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 1.4 t -59.97 -40.0 81.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -59.92 -40.94 90.58 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.914 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.9 mtm -63.26 -46.47 86.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.93 -28.31 11.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -66.0 -40.06 90.82 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.037 -1.039 . . . . 0.0 108.676 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 p -74.7 -40.01 61.61 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.748 -0.595 . . . . 0.0 109.97 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' X' ' 5' ' ' ILE . . . -60.44 -40.53 91.45 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 0.0 109.745 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.79 -44.15 90.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.203 -0.936 . . . . 0.0 109.406 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -62.74 -40.12 96.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.413 -0.804 . . . . 0.0 109.868 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.12 -39.89 87.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.238 -0.914 . . . . 0.0 109.68 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -94.7 112.82 24.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.025 -1.047 . . . . 0.0 109.719 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -112.62 -19.24 12.15 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.047 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.519 ' N ' ' OE2' ' A' ' 89' ' ' GLU . 86.7 t60 -60.13 -40.03 88.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 0.0 109.25 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.426 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.317 0.579 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 108.945 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.72 -24.23 67.69 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.043 -1.035 . . . . 0.0 110.796 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -50.02 75.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.723 -1.236 . . . . 0.0 110.034 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -32.85 69.95 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.732 -1.23 . . . . 0.0 109.005 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.73 92.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 0.0 109.267 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.5 tpp -60.12 -40.75 90.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.902 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.07 -39.92 81.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.63 95.84 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.463 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.28 -40.02 81.96 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.138 . . . . 0.0 109.234 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.55 -41.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 121.127 -0.983 . . . . 0.0 109.097 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.73 -40.41 69.43 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.817 -1.177 . . . . 0.0 109.485 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.04 -32.14 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.81 -50.01 75.48 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 119.424 -0.91 . . . . 0.0 109.357 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -72.98 -27.86 62.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.198 -0.939 . . . . 0.0 112.065 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -59.92 -39.96 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.009 -1.057 . . . . 0.0 111.713 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 60.5 m-85 -117.28 -21.71 8.61 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.01 -1.056 . . . . 0.0 111.474 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 83.2 p -66.6 -36.75 83.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.534 -1.354 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.72 8.2 80.16 Favored Glycine 0 N--CA 1.495 2.615 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.618 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -73.5 -39.94 64.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.737 -1.449 . . . . 0.0 109.707 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -147.87 152.68 38.01 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.084 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.85 -169.22 48.79 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -76.49 150.78 36.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 109.295 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -61.02 -39.04 88.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 109.69 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -80.02 -3.0 46.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 111.448 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -129.27 148.25 51.18 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.903 -1.123 . . . . 0.0 110.115 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' B' ' 68' ' ' CYS . 20.6 mt -120.08 112.19 18.81 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.685 -0.634 . . . . 0.0 109.335 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' NZ ' ' OG ' ' B' ' 30' ' ' SER . 24.5 ttpp -83.96 149.63 26.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.908 -1.12 . . . . 0.0 108.553 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' B' ' 28' ' ' LYS . 17.2 ptmt -40.25 -39.93 1.03 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.47 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.531 ' OG ' ' NZ ' ' B' ' 28' ' ' LYS . 60.3 p -65.05 -44.02 90.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.161 -0.962 . . . . 0.0 110.265 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.464 ' OE2' ' O ' ' B' ' 17' ' ' TYR . 38.0 tt0 -69.51 -32.54 71.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.047 -1.033 . . . . 0.0 108.541 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.04 -35.94 79.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.663 -0.648 . . . . 0.0 109.307 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.09 -45.43 92.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.428 -0.795 . . . . 0.0 109.969 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.05 -34.34 73.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -52.26 66.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.361 -0.837 . . . . 0.0 109.645 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.5 mt -69.99 -43.63 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 110.181 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -60.04 -38.21 82.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.258 -0.901 . . . . 0.0 111.006 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.421 ' CG ' ' OH ' ' B' ' 17' ' ' TYR . 2.3 t30 -82.72 -36.15 26.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.915 -1.115 . . . . 0.0 111.25 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.93 -40.77 38.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.496 -1.377 . . . . 0.0 108.445 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 41' ' ' SER . 11.8 mt -101.49 49.32 0.87 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 40' ' ' LEU . 21.0 m -47.29 -93.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -116.56 -8.28 11.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.422 -0.799 . . . . 0.0 109.515 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.98 -30.74 68.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.67 -154.6 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -54.21 134.42 44.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.928 -1.107 . . . . 0.0 109.522 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' B' ' 48' ' ' LYS . 86.2 tt0 -106.96 122.79 47.13 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mm -92.5 109.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.044 0 CA-C-O 121.92 0.867 . . . . 0.0 110.033 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -127.62 -8.18 5.66 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.122 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 51' ' ' GLU . 50.1 tp10 -123.31 136.93 54.91 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.13 -23.11 67.2 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.256 -0.903 . . . . 0.0 110.044 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.514 ' H ' ' HG3' ' B' ' 49' ' ' GLU . 17.3 pt-20 -60.0 -40.25 88.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.378 -0.826 . . . . 0.0 110.008 -178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.4 t -63.51 -48.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 57' ' ' MET . 3.8 t -60.03 -45.23 95.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.072 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -61.98 -46.13 90.59 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.204 -1.398 . . . . 0.0 108.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.15 -38.88 75.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.36 -0.838 . . . . 0.0 109.748 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 52' ' ' VAL . 41.9 t -76.65 -32.85 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 CA-C-O 121.656 0.741 . . . . 0.0 109.045 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 53' ' ' VAL . 9.6 tpt -70.5 -46.21 64.14 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.92 -31.34 72.49 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -69.41 -39.86 77.65 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.561 0.696 . . . . 0.0 109.519 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.558 HD11 ' O ' ' B' ' 72' ' ' GLU . 20.9 tp -91.24 -57.85 2.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' B' ' 57' ' ' MET . 13.1 t0 -82.46 57.79 3.85 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -66.51 4.0 0.85 Allowed 'General case' 0 C--N 1.294 -1.84 0 CA-C-O 121.727 0.775 . . . . 0.0 109.277 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.0 m-20 -76.11 -26.77 56.73 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 10.03 85.82 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 52.6 p-10 -86.94 -0.03 55.87 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.51 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.0 28.22 73.2 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.542 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 48.5 mt-10 -145.9 153.7 41.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.339 -1.095 . . . . 0.0 110.801 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -129.65 126.48 38.47 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -81.51 170.01 16.43 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.042 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 33.2 p90 -56.72 -41.43 77.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.113 -0.992 . . . . 0.0 108.554 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.549 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 20.4 tm0? -59.99 -40.97 90.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.163 -0.96 . . . . 0.0 108.867 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.558 ' O ' HD11 ' B' ' 60' ' ' LEU . 43.1 mt-10 -63.22 -39.93 96.04 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.248 -0.908 . . . . 0.0 109.057 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -60.03 -38.98 84.31 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.2 tpt -60.06 -34.05 72.88 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.84 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.925 . . . . 0.0 110.56 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.03 -40.13 88.28 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.85 -1.156 . . . . 0.0 108.837 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.4 t -60.0 -39.92 81.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -59.99 -41.09 91.3 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.905 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 29.8 mtm -63.16 -46.57 86.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.114 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 t -80.79 -28.31 11.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.054 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.6 m -66.05 -39.94 90.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.118 -0.989 . . . . 0.0 108.798 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 p -74.78 -39.98 61.42 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 109.986 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' Y' ' 5' ' ' ILE . . . -60.46 -40.45 91.23 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.93 -44.05 90.75 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 109.444 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.89 -40.06 96.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 109.791 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.03 -39.95 87.65 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.341 -0.85 . . . . 0.0 110.569 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.06 -40.03 88.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.932 . . . . 0.0 109.679 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -94.46 112.79 24.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.963 -1.085 . . . . 0.0 109.734 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -112.63 -19.19 12.16 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.526 ' N ' ' OE2' ' B' ' 89' ' ' GLU . 86.7 t60 -60.17 -40.02 88.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.0 109.172 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.317 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' X' ' 3' ' ' THR . 99.3 mtt180 -59.98 -51.03 71.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.261 -0.899 . . . . 0.0 109.571 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.489 ' C ' ' O ' ' X' ' 2' ' ' ARG . 7.6 p 31.38 -109.3 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.213 0 CA-C-O 121.524 0.678 . . . . 0.0 110.519 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' X' ' 2' ' ' ARG . 96.0 mttt -81.49 160.7 23.89 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.487 -0.758 . . . . 0.0 109.452 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.4 pp -67.52 -167.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 122.126 0.965 . . . . 0.0 108.886 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.85 38.24 0.05 Allowed 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.934 0.873 . . . . 0.0 109.665 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.515 ' H ' ' C ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -59.94 -24.61 64.51 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -59.88 -39.97 87.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 108.996 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.15 -34.05 74.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.293 -0.88 . . . . 0.0 109.283 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 99.3 mt -60.01 -40.39 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.18 -0.95 . . . . 0.0 110.148 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.84 -39.96 72.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.137 . . . . 0.0 108.862 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.666 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' Y' ' 3' ' ' THR . 99.2 mtt180 -59.99 -51.17 70.81 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 109.595 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.489 ' C ' ' O ' ' Y' ' 2' ' ' ARG . 7.7 p 31.48 -109.46 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.436 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' Y' ' 2' ' ' ARG . 95.2 mttt -81.34 160.57 24.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.471 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.561 ' CD1' ' HB1' ' B' ' 83' ' ' ALA . 1.4 pp -67.42 -167.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.156 0.979 . . . . 0.0 108.87 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.78 38.62 0.05 Allowed 'General case' 0 C--N 1.28 -2.42 0 CA-C-O 121.893 0.854 . . . . 0.0 109.594 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.515 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -60.19 -24.68 64.98 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -59.87 -39.85 86.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.079 -1.013 . . . . 0.0 108.984 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.21 -34.08 74.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.29 -0.881 . . . . 0.0 109.254 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.04 -40.04 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.888 . . . . 0.0 110.171 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -56.18 -40.06 73.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.825 -1.172 . . . . 0.0 108.924 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.535 179.786 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.263 0.554 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -65.7 -39.78 91.61 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.178 -0.952 . . . . 0.0 109.504 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 -26.54 68.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.586 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.8 tt0 -60.02 -48.81 80.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.946 -1.096 . . . . 0.0 110.524 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -66.62 -39.68 88.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.593 -1.317 . . . . 0.0 109.471 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.34 87.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.299 -0.875 . . . . 0.0 110.19 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.3 -42.54 95.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.832 -1.167 . . . . 0.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.06 -40.28 82.79 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.41 94.07 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.802 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.14 -40.5 94.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.027 -1.046 . . . . 0.0 108.799 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -68.2 -40.3 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.702 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -74.07 -40.1 63.01 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.609 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.08 -34.9 58.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.97 -50.01 75.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.515 -0.741 . . . . 0.0 109.742 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -72.01 -31.8 66.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.533 -0.729 . . . . 0.0 110.767 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.49 89.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 0.0 111.427 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.491 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 89.4 m-85 -93.08 -28.22 16.48 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.779 -1.2 . . . . 0.0 111.024 -178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.2 t -65.83 -38.69 89.59 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.27 3.24 32.26 Favored Glycine 0 N--CA 1.494 2.549 0 O-C-N 121.176 -0.952 . . . . 0.0 110.908 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -60.07 -47.39 86.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.35 . . . . 0.0 109.045 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -168.19 158.46 10.15 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.457 -0.777 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.12 -165.91 51.14 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 55.9 t0 -79.53 142.15 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.441 -1.035 . . . . 0.0 109.664 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.3 mtmp? -69.44 -27.77 65.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.473 -0.767 . . . . 0.0 109.954 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.99 -18.29 61.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.584 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.77 149.66 51.42 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.204 -0.935 . . . . 0.0 110.585 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.93 130.48 56.51 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpp -96.32 150.41 20.59 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.126 -0.984 . . . . 0.0 108.715 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' LYS . 11.0 mtmt -37.44 -49.68 1.04 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.693 -0.629 . . . . 0.0 110.487 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -60.1 -39.92 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.052 -1.03 . . . . 0.0 109.794 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 38.1 mt-10 -64.34 -39.96 94.94 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 0.0 108.998 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.43 -37.27 80.12 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.38 -0.825 . . . . 0.0 109.11 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.49 -40.08 74.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.046 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.42 -40.53 81.17 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.059 -1.057 . . . . 0.0 108.255 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 73' ' ' PHE . 24.6 tp -60.0 -51.04 71.36 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.611 -0.681 . . . . 0.0 110.41 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.97 -40.6 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.065 -1.022 . . . . 0.0 110.567 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.46 -28.98 62.24 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.176 -1.578 . . . . 0.0 110.474 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.491 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -86.65 -50.53 6.73 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.051 -1.031 . . . . 0.0 110.739 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' HD22 ' A' ' 40' ' ' LEU . 70.4 mm-40 -83.3 -43.51 15.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.938 -1.101 . . . . 0.0 110.706 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -98.76 30.99 3.08 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 40' ' ' LEU . 39.4 t -42.66 -104.07 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.264 0.554 . . . . 0.0 111.988 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 50.7 p-80 -92.53 -8.12 45.36 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.903 -1.123 . . . . 0.0 110.173 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 87.4 m-85 -69.1 -39.75 78.81 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.209 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.781 HD22 ' HE1' ' X' ' 7' ' ' TRP . 10.7 mt -142.49 122.42 13.6 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.498 -0.751 . . . . 0.0 109.683 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 44' ' ' LEU . 17.7 tp10 40.64 103.87 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.833 -0.542 . . . . 0.0 111.645 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -81.3 119.03 23.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -81.86 108.17 14.67 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.422 0 CA-C-O 121.971 0.891 . . . . 0.0 109.181 -178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.85 -15.68 10.65 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' OE1' ' OE2' ' A' ' 51' ' ' GLU . 80.2 mt-10 -122.77 152.92 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.818 0.818 . . . . 0.0 110.387 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.37 -21.19 60.58 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' OE2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 pt-20 -60.54 -43.32 97.31 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.023 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.5 t -59.99 -49.58 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' MET . 2.5 t -60.34 -47.17 93.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 CA-C-N 115.276 -0.875 . . . . 0.0 108.981 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -60.22 -43.71 95.79 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 118.588 -1.245 . . . . 0.0 109.196 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -70.01 -38.93 76.08 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.39 -0.819 . . . . 0.0 109.38 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.56 -31.75 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.098 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.565 ' N ' ' O ' ' A' ' 53' ' ' VAL . 12.5 tpt -72.12 -41.84 66.73 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.13 -30.13 70.19 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 m -64.07 -32.68 74.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.295 0.569 . . . . 0.0 109.686 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 39.1 mt -104.45 -50.64 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 66.8 t0 -72.27 56.01 0.34 Allowed 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -66.49 7.93 0.29 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.701 0.762 . . . . 0.0 109.103 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.8 m-20 -95.08 -27.81 15.41 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 10.08 85.98 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.608 -1.797 . . . . 0.0 108.608 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.0 p-10 -80.4 3.06 22.53 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.652 -0.911 . . . . 0.0 108.582 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.81 29.31 71.12 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.0 mt-10 -145.72 156.06 43.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.484 -1.01 . . . . 0.0 110.239 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.48 121.18 26.74 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -80.0 169.1 18.33 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 17.7 p90 -59.39 -39.94 84.97 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 53.3 tp60 -61.71 -40.35 94.72 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.359 -0.838 . . . . 0.0 108.801 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 60' ' ' LEU . 46.7 mt-10 -70.03 -42.19 73.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.022 -1.049 . . . . 0.0 109.901 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.1 t80 -65.86 -34.56 78.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.265 -0.897 . . . . 0.0 108.96 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -32.05 70.49 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 108.777 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.25 65.33 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.018 -1.051 . . . . 0.0 109.742 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 66.4 t80 -60.0 -41.44 92.12 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.128 -0.983 . . . . 0.0 109.521 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -66.0 -40.59 87.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 O-C-N 120.969 -1.082 . . . . 0.0 108.49 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -65.21 -43.13 92.5 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.759 -0.588 . . . . 0.0 111.127 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -73.75 -39.99 63.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.857 -1.152 . . . . 0.0 110.813 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 42.7 t -77.49 -32.69 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.801 -1.187 . . . . 0.0 108.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -65.69 -39.84 91.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.975 -1.078 . . . . 0.0 108.23 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -63.92 -40.01 95.49 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.0 91.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 m -59.99 -41.63 92.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.058 -1.026 . . . . 0.0 108.54 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.38 -40.08 89.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.47 -0.769 . . . . 0.0 108.959 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.6 -6.16 10.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.53 -0.731 . . . . 0.0 110.4 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -48.87 -20.01 0.45 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.085 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.32 114.47 3.2 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.922 -1.111 . . . . 0.0 108.03 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 91' ' ' GLU . 19.8 pt-20 -94.47 -0.26 54.84 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.304 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t60 64.49 -22.77 0.07 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.524 -0.735 . . . . 0.0 110.424 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 89' ' ' GLU . 86.8 tt0 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 120.981 -1.074 . . . . 0.0 109.434 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.0 109.532 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.83 -26.64 68.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.238 -0.913 . . . . 0.0 110.433 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.8 tt0 -59.73 -49.34 78.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.001 -1.062 . . . . 0.0 110.413 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.0 ptmt -66.34 -39.53 89.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.538 -1.352 . . . . 0.0 109.546 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -66.84 -41.62 87.13 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.267 -0.896 . . . . 0.0 110.179 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 38.9 ttm -60.08 -42.53 94.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.819 -1.176 . . . . 0.0 109.001 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -59.98 -40.56 83.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.78 93.05 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.707 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.84 -40.66 93.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.981 -1.075 . . . . 0.0 108.879 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -68.07 -40.21 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 108.787 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -74.09 -40.11 62.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.086 -1.009 . . . . 0.0 109.703 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 37.7 t -60.09 -35.06 59.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.9 -50.02 75.41 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.647 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -71.77 -32.08 67.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.649 -0.657 . . . . 0.0 110.804 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.97 -46.26 89.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 111.378 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 90.2 m-85 -93.08 -28.01 16.61 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.654 -1.279 . . . . 0.0 111.106 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -65.82 -38.88 90.12 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.961 -1.087 . . . . 0.0 110.375 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.95 3.04 30.66 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.197 -0.939 . . . . 0.0 111.026 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -60.06 -47.4 86.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.886 -1.361 . . . . 0.0 109.078 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -168.24 158.37 9.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 109.621 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.98 -165.93 51.38 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 55.4 t0 -79.23 142.21 36.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -1.048 . . . . 0.0 109.808 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.51 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 8.4 mtmp? -69.43 -27.99 65.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.419 -0.801 . . . . 0.0 109.933 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.73 -18.9 61.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.898 . . . . 0.0 110.631 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.15 149.87 50.78 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.135 -0.978 . . . . 0.0 110.643 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -113.84 130.55 56.46 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' B' ' 31' ' ' GLU . 24.5 ttpp -96.27 150.48 20.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.149 -0.969 . . . . 0.0 108.668 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.8 mtmt -37.52 -49.65 1.07 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.692 -0.63 . . . . 0.0 110.489 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.8 m -59.96 -40.25 88.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.011 . . . . 0.0 109.795 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' B' ' 28' ' ' LYS . 37.9 mt-10 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.0 109.124 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.25 -37.79 81.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 0.0 109.116 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -56.28 -40.06 73.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 108.989 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -68.16 -40.84 82.22 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.431 HD21 ' CE1' ' B' ' 73' ' ' PHE . 25.3 tp -59.99 -51.12 71.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.544 -0.722 . . . . 0.0 110.423 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.6 -41.02 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.047 -1.033 . . . . 0.0 110.574 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -73.33 -28.66 62.19 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.17 -1.581 . . . . 0.0 110.572 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.502 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -86.91 -50.53 6.63 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.907 -1.121 . . . . 0.0 110.722 -178.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' C ' HD22 ' B' ' 40' ' ' LEU . 70.3 mm-40 -83.2 -43.59 15.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.952 -1.093 . . . . 0.0 110.7 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -98.68 31.03 3.04 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.448 ' O ' ' O ' ' B' ' 40' ' ' LEU . 39.0 t -42.69 -103.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.773 -0.58 . . . . 0.0 112.137 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' CE2' ' B' ' 43' ' ' PHE . 51.0 p-80 -92.98 -7.93 44.49 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.882 -1.137 . . . . 0.0 110.176 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 87.3 m-85 -69.19 -39.86 78.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.775 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 10.6 mt -142.44 122.63 13.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 109.784 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.487 ' O ' ' O ' ' B' ' 44' ' ' LEU . 17.9 tp10 40.23 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 178.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -81.34 118.93 23.06 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 105.596 -2.002 . . . . 0.0 105.596 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.474 HG21 HG23 ' B' ' 53' ' ' VAL . 27.5 mm -81.78 108.28 14.72 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.93 0.871 . . . . 0.0 109.278 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.99 -15.59 10.58 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -122.76 152.57 40.5 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.766 0.793 . . . . 0.0 110.438 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -73.34 -21.28 60.58 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.38 -43.31 96.73 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.44 HG23 ' H ' ' B' ' 52' ' ' VAL . 2.4 t -60.08 -49.57 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 57' ' ' MET . 2.5 t -60.37 -47.22 93.32 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.95 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.32 -43.45 96.35 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 118.584 -1.246 . . . . 0.0 109.217 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.06 -39.18 75.82 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.305 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -76.17 -31.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 CA-C-O 121.649 0.738 . . . . 0.0 109.101 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.536 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.6 tpt -71.95 -41.8 67.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.22 -30.08 70.22 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -64.24 -32.72 74.42 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 41.4 mt -104.13 -50.97 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 66.6 t0 -71.95 55.82 0.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.3 mt-10 -66.34 7.99 0.27 Allowed 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.702 0.763 . . . . 0.0 109.051 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' B' ' 61' ' ' ASP . 93.8 m-20 -95.12 -27.96 15.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.11 85.91 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.578 -1.809 . . . . 0.0 108.578 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.4 p-10 -80.48 3.35 21.8 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.585 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.52 29.07 71.71 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.547 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -145.68 155.84 43.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.454 -1.027 . . . . 0.0 110.353 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -129.69 121.21 26.5 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -79.79 169.09 18.44 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.38 -0.825 . . . . 0.0 109.554 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 18.8 p90 -59.43 -40.03 85.42 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 53.9 tp60 -61.54 -40.41 94.59 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.265 -0.897 . . . . 0.0 108.925 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 60' ' ' LEU . 46.4 mt-10 -69.98 -42.0 73.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.137 -0.977 . . . . 0.0 109.825 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' B' ' 35' ' ' LEU . 6.5 t80 -65.97 -34.49 78.23 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 109.079 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -31.92 70.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.149 -0.969 . . . . 0.0 108.931 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.32 65.05 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.079 -1.013 . . . . 0.0 109.75 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' B' ' 80' ' ' VAL . 67.0 t80 -59.96 -41.2 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.147 -0.971 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -40.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 108.399 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -64.83 -43.32 93.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.809 -0.557 . . . . 0.0 111.232 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.6 -40.0 64.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.82 -1.175 . . . . 0.0 110.907 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' B' ' 76' ' ' PHE . 44.6 t -77.68 -32.45 18.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.742 -1.224 . . . . 0.0 109.139 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 49.4 m -65.92 -39.98 91.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.002 -1.062 . . . . 0.0 108.163 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -63.57 -40.15 96.25 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.18 91.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 13.5 m -59.92 -41.31 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.973 -1.079 . . . . 0.0 108.596 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.74 -39.76 89.9 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.03 -5.78 10.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.687 -0.633 . . . . 0.0 110.394 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -49.16 -20.04 0.53 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.994 -1.066 . . . . 0.0 110.127 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.25 114.44 3.16 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.877 -1.139 . . . . 0.0 108.018 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' B' ' 91' ' ' GLU . 19.7 pt-20 -94.58 -0.14 54.76 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.152 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.9 t60 64.36 -22.48 0.07 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.53 -0.731 . . . . 0.0 110.46 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 89' ' ' GLU . 86.8 tt0 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.974 -1.079 . . . . 0.0 109.489 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 50.31 42.23 25.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.18 -0.95 . . . . 0.0 108.991 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t -144.77 160.02 41.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.343 -0.848 . . . . 0.0 109.78 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.91 157.84 14.43 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.108 -0.995 . . . . 0.0 108.898 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.93 HD12 ' N ' ' X' ' 6' ' ' ASP . 2.7 pp -46.52 -57.41 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.028 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.93 ' N ' HD12 ' X' ' 5' ' ' ILE . 12.8 t0 -174.41 29.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.781 ' HE1' HD22 ' A' ' 44' ' ' LEU . 1.1 m95 -49.85 -24.11 2.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 109.198 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.724 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 0.7 OUTLIER -53.49 -46.19 69.94 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.4 -0.92 . . . . 0.0 108.564 -179.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.06 -39.87 75.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.619 -0.676 . . . . 0.0 109.724 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' X' ' 7' ' ' TRP . 85.9 mt -61.34 -53.91 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.197 -0.939 . . . . 0.0 110.352 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.58 -39.78 92.38 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.44 -0.788 . . . . 0.0 109.295 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.343 179.675 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 50.22 42.42 25.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.907 . . . . 0.0 109.205 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -144.94 160.21 41.7 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.298 -0.876 . . . . 0.0 109.655 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -60.64 158.24 12.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.899 . . . . 0.0 108.945 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.917 HD12 ' N ' ' Y' ' 6' ' ' ASP . 2.7 pp -47.09 -57.05 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.094 -1.004 . . . . 0.0 110.17 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.917 ' N ' HD12 ' Y' ' 5' ' ' ILE . 13.1 t0 -174.37 28.54 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.775 ' HE1' HD22 ' B' ' 44' ' ' LEU . 1.2 m95 -49.37 -24.08 1.76 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.622 -0.674 . . . . 0.0 109.242 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.753 ' H ' ' ND2' ' Y' ' 8' ' ' ASN . 0.7 OUTLIER -53.56 -46.31 70.21 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 108.647 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -69.96 -39.93 75.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.548 -0.72 . . . . 0.0 109.644 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' Y' ' 7' ' ' TRP . 88.0 mt -60.94 -55.09 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.18 -39.8 87.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.356 -0.84 . . . . 0.0 109.521 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.386 179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' B' ' 16' ' ' GLN . 86.4 tt0 -60.5 -39.96 89.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.373 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.44 -23.26 37.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.5 -0.75 . . . . 0.0 110.258 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 43' ' ' PHE . 85.0 tt0 -59.96 -49.45 77.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.953 -1.092 . . . . 0.0 110.603 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 7.7 pttt -69.54 -29.41 66.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.778 -1.201 . . . . 0.0 109.154 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 5' ' ' LYS . . . -75.52 -40.34 57.15 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.546 -0.721 . . . . 0.0 110.467 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 44.7 ttm -60.02 -45.34 93.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 110.059 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -61.61 -39.6 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.02 93.93 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.758 -0.589 . . . . 0.0 109.756 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.86 -41.11 92.07 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.411 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.3 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.142 -0.974 . . . . 0.0 108.975 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.25 -42.54 54.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.335 -0.853 . . . . 0.0 109.967 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.5 -34.51 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' A' ' 18' ' ' SER . 86.1 t80 -59.08 -48.06 82.98 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 109.057 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -69.95 -30.67 68.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.198 -0.939 . . . . 0.0 110.952 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' OE1' ' B' ' 2' ' ' GLU . 77.0 mt-30 -59.9 -45.5 92.35 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.773 -1.205 . . . . 0.0 112.177 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' A' ' 35' ' ' LEU . 32.1 p90 -104.71 -28.62 11.1 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.776 -1.203 . . . . 0.0 110.714 -179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 93.6 p -60.08 -38.09 81.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.44 -1.413 . . . . 0.0 108.683 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.72 9.82 10.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 20' ' ' ARG . 37.3 ttt-85 -60.14 -37.31 79.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -1.106 . . . . 0.0 109.701 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -140.34 168.59 19.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.269 -0.894 . . . . 0.0 109.953 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -50.27 -29.64 16.4 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 26' ' ' LYS . 49.3 t0 -69.7 65.59 0.21 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.754 -1.439 . . . . 0.0 109.769 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 22' ' ' GLY . 54.7 mttm -72.65 -33.26 66.47 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.424 -0.798 . . . . 0.0 109.666 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -70.68 -34.34 71.89 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.554 -0.716 . . . . 0.0 110.635 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 91.9 mttt -129.78 156.3 44.54 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.226 -0.921 . . . . 0.0 110.088 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -106.19 124.51 49.7 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.474 -0.767 . . . . 0.0 109.044 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' GLU . 78.7 tttt -91.46 151.86 20.61 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.0 108.616 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.2 ptpt -41.22 -39.56 1.37 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.382 -0.824 . . . . 0.0 110.034 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.5 p -63.61 -40.62 97.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.154 -0.966 . . . . 0.0 109.378 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' LYS . 43.4 mt-10 -67.43 -40.25 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.175 -0.953 . . . . 0.0 109.055 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.08 -35.79 78.77 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.25 -39.98 73.43 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -67.66 -40.02 84.5 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -59.89 -49.51 77.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.443 -0.785 . . . . 0.0 109.352 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.4 mt -72.36 -42.07 65.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 120.592 -1.317 . . . . 0.0 110.24 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -73.63 -24.01 59.96 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.463 -1.398 . . . . 0.0 110.967 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' ND2' ' OE2' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -90.09 -33.96 16.09 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.7 -1.25 . . . . 0.0 111.463 -178.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.534 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 39.5 mp0 -109.01 -32.75 7.13 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.856 -1.153 . . . . 0.0 111.049 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.1 mm? -99.95 19.53 16.03 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.877 -1.139 . . . . 0.0 108.174 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.545 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 79.7 p -44.59 -101.21 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.813 -0.554 . . . . 0.0 111.932 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.545 ' N ' ' OG ' ' A' ' 41' ' ' SER . 55.6 t-80 -87.11 -22.39 25.42 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.154 -0.966 . . . . 0.0 111.391 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CE1' ' OE2' ' B' ' 4' ' ' GLU . 97.3 m-85 -61.17 -30.18 70.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.648 -1.283 . . . . 0.0 108.801 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD22 ' HE1' ' X' ' 7' ' ' TRP . 3.2 mt -141.36 -155.62 0.6 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -50.42 137.75 18.34 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.697 -1.252 . . . . 0.0 110.96 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 7.5 pt-20 -100.2 122.02 42.37 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 52' ' ' VAL . 40.4 mm -91.36 120.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 CA-C-O 122.032 0.92 . . . . 0.0 109.809 -178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.612 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -133.96 -12.02 2.58 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -122.03 153.0 39.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 0.0 110.329 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -72.47 -23.28 61.02 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.5 pt-20 -60.25 -45.54 92.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.401 -0.812 . . . . 0.0 110.136 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 47' ' ' ILE . 24.3 t -61.97 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' A' ' 57' ' ' MET . 40.9 t -60.99 -44.02 97.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.844 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -63.73 -44.79 92.52 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.297 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 55' ' ' LYS . 9.1 mtpm? -69.36 -39.2 78.23 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.582 0.706 . . . . 0.0 109.192 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.25 -33.09 19.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.574 -0.704 . . . . 0.0 109.615 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.54 ' N ' ' O ' ' A' ' 53' ' ' VAL . 9.2 tpt -74.66 -41.9 59.46 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.96 -30.91 71.24 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.448 ' C ' HD22 ' A' ' 60' ' ' LEU . 26.5 m -63.63 -34.91 78.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.917 -0.489 . . . . 0.0 110.325 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.35 5.66 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' A' ' 67' ' ' GLU . 66.1 t0 -78.76 56.39 1.87 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.41 5.64 0.54 Allowed 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.085 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 61' ' ' ASP . 91.4 m-20 -88.58 -31.17 18.75 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.24 11.24 83.72 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 49.2 p-10 -84.52 4.84 30.03 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.42 36.57 92.72 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.8 mt-10 -145.37 153.75 41.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.272 -1.134 . . . . 0.0 110.449 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 122.29 23.9 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -80.02 168.85 18.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 5.5 p90 -54.71 -42.27 71.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.947 -1.096 . . . . 0.0 108.526 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.523 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 60.4 tt0 -60.73 -40.99 94.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -0.899 . . . . 0.0 109.819 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.59 -40.13 96.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.998 -1.064 . . . . 0.0 109.67 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.79 -40.22 87.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.341 -0.849 . . . . 0.0 109.132 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.4 mmm -60.26 -37.13 79.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.356 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.62 78.86 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 110.524 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -58.42 -40.5 82.65 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.962 -1.086 . . . . 0.0 108.851 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 77' ' ' VAL . 1.1 t -60.65 -43.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.873 0 O-C-N 121.235 -0.915 . . . . 0.0 108.767 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -60.48 -42.35 96.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.568 -0.707 . . . . 0.0 109.919 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.95 -45.59 92.99 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.468 -0.77 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.51 -28.81 7.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.168 -0.958 . . . . 0.0 109.92 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 94.0 m -68.38 -39.7 81.67 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -69.62 -39.76 76.99 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.797 -0.564 . . . . 0.0 109.691 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.19 96.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.99 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 18.8 t -63.3 -40.92 98.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.356 -0.84 . . . . 0.0 109.946 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -60.02 -40.1 88.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.045 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.93 -21.85 65.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.708 -0.62 . . . . 0.0 110.374 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.1 -40.55 90.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.115 -0.991 . . . . 0.0 110.098 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.81 110.28 16.16 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.08 -1.013 . . . . 0.0 109.433 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -99.53 -107.89 0.2 Allowed 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.35 -40.07 95.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.958 -1.089 . . . . 0.0 110.014 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.751 -179.315 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 81.7 tt0 -60.74 -39.75 89.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.54 -22.98 36.89 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.554 -0.716 . . . . 0.0 110.364 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 43' ' ' PHE . 85.6 tt0 -59.8 -49.68 76.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 110.67 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' B' ' 6' ' ' ALA . 8.5 pttt -69.57 -29.68 67.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.735 -1.228 . . . . 0.0 109.217 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' B' ' 5' ' ' LYS . . . -75.08 -40.38 60.17 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.5 -0.75 . . . . 0.0 110.367 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.29 -45.39 93.51 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.875 -1.14 . . . . 0.0 110.0 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -61.39 -39.85 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.22 94.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.659 -0.65 . . . . 0.0 109.841 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.33 -41.23 89.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.994 -1.066 . . . . 0.0 108.295 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.35 -43.17 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.165 -0.96 . . . . 0.0 108.794 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -75.28 -42.34 55.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.362 -0.836 . . . . 0.0 110.049 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t -57.77 -34.73 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' B' ' 18' ' ' SER . 86.1 t80 -58.71 -47.96 82.78 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 109.163 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -70.02 -30.75 68.12 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.193 -0.942 . . . . 0.0 110.979 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 2' ' ' GLU . 76.0 mt-30 -59.88 -45.66 91.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.758 -1.214 . . . . 0.0 112.087 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.509 ' CD1' HD23 ' B' ' 35' ' ' LEU . 31.3 p90 -104.52 -28.56 11.22 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 120.895 -1.128 . . . . 0.0 110.887 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 96.7 p -60.1 -38.09 81.94 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.488 -1.382 . . . . 0.0 108.545 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.89 9.79 10.63 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 20' ' ' ARG . 34.4 ttt-85 -60.15 -37.09 79.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.244 -1.15 . . . . 0.0 109.838 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.43 168.67 19.26 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -50.24 -29.44 15.86 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 26' ' ' LYS . 49.2 t0 -69.94 64.86 0.23 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.726 -1.455 . . . . 0.0 109.933 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' B' ' 22' ' ' GLY . 55.4 mttm -71.58 -33.94 69.49 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.662 0.744 . . . . 0.0 109.816 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -70.79 -34.59 71.93 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.667 -0.646 . . . . 0.0 110.545 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 90.9 mttt -129.54 156.95 43.34 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.102 -0.999 . . . . 0.0 110.2 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.5 123.75 48.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.571 -0.706 . . . . 0.0 109.127 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' B' ' 31' ' ' GLU . 81.1 tttt -91.08 151.27 21.07 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.2 ptpt -40.97 -39.05 1.08 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.358 -0.839 . . . . 0.0 110.18 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 53.6 p -63.74 -41.03 98.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.132 -0.98 . . . . 0.0 109.212 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 28' ' ' LYS . 43.2 mt-10 -67.11 -40.0 86.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.317 -0.864 . . . . 0.0 109.023 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -68.27 -36.18 79.01 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.036 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.96 -39.89 72.45 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.73 -40.03 84.24 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.707 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.8 tm? -59.83 -49.12 78.94 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.474 -0.766 . . . . 0.0 109.415 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 36' ' ' ILE . 41.8 mt -72.54 -42.48 63.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 120.672 -1.267 . . . . 0.0 110.245 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -73.42 -23.97 60.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.52 -1.363 . . . . 0.0 111.033 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OE2' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -89.97 -34.39 16.03 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.645 -1.284 . . . . 0.0 111.38 -178.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.535 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 39.9 mp0 -108.34 -32.87 7.28 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.792 -1.193 . . . . 0.0 111.115 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -99.99 19.91 15.37 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.985 -1.072 . . . . 0.0 108.194 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.532 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 96.3 p -45.06 -100.86 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.669 -0.645 . . . . 0.0 112.008 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.532 ' N ' ' OG ' ' B' ' 41' ' ' SER . 56.2 t-80 -87.03 -22.59 25.38 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.233 -0.917 . . . . 0.0 111.347 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.54 ' CE1' ' OE2' ' A' ' 4' ' ' GLU . 97.1 m-85 -61.11 -30.41 70.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.794 -1.191 . . . . 0.0 108.803 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.49 HD22 ' HE1' ' Y' ' 7' ' ' TRP . 2.8 mt -141.26 -155.22 0.57 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.356 -0.84 . . . . 0.0 108.752 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -51.05 138.22 20.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.656 -1.278 . . . . 0.0 110.968 -178.169 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 7.2 pt-20 -100.24 122.12 42.54 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' B' ' 52' ' ' VAL . 37.4 mm -91.66 121.07 41.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-O 122.037 0.922 . . . . 0.0 109.79 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.582 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -134.66 -11.43 2.37 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -122.2 153.17 39.16 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.616 0.722 . . . . 0.0 110.39 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.54 -23.46 60.99 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 15.1 pt-20 -59.99 -45.61 92.14 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.359 -0.838 . . . . 0.0 110.214 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' B' ' 51' ' ' GLU . 22.6 t -62.09 -45.22 99.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' B' ' 57' ' ' MET . 39.8 t -60.78 -44.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.869 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.775 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -63.41 -45.13 92.42 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.764 -1.21 . . . . 0.0 109.389 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.496 ' HB3' ' HZ3' ' B' ' 55' ' ' LYS . 9.0 mtpm? -69.28 -38.97 78.59 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.02 -33.39 20.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 121.588 0.709 . . . . 0.0 109.528 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' ASP . 8.6 tpt -74.74 -42.02 59.05 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.58 -31.38 71.43 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.454 ' C ' HD22 ' B' ' 60' ' ' LEU . 27.7 m -63.42 -34.82 78.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.912 -0.493 . . . . 0.0 110.502 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.505 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.0 mm? -103.73 -42.03 5.75 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.559 ' OD2' ' N ' ' B' ' 67' ' ' GLU . 66.3 t0 -79.37 56.14 2.06 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.22 6.02 0.46 Allowed 'General case' 0 C--N 1.293 -1.866 0 CA-C-O 121.695 0.759 . . . . 0.0 109.093 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' ASP . 91.7 m-20 -88.73 -31.07 18.62 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.86 84.33 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.071 -2.011 . . . . 0.0 108.071 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.4 p-10 -84.37 5.18 28.04 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 60.75 36.92 92.72 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 108.464 -1.854 . . . . 0.0 108.464 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.559 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.0 mt-10 -145.51 153.38 41.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.294 -1.121 . . . . 0.0 110.481 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.91 122.57 24.53 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -80.19 168.38 19.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.163 -0.961 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 5.6 p90 -54.66 -41.75 70.51 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.005 -1.059 . . . . 0.0 108.527 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.522 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 60.7 tt0 -61.39 -40.8 95.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.175 -0.953 . . . . 0.0 109.642 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.78 -39.92 95.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.999 -1.063 . . . . 0.0 109.483 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 5.0 t80 -60.05 -40.2 88.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.222 -0.923 . . . . 0.0 109.035 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.19 -37.27 79.71 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.359 -0.838 . . . . 0.0 109.267 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -33.96 77.3 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.284 -0.885 . . . . 0.0 110.639 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.0 -40.42 84.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.003 -1.061 . . . . 0.0 108.925 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' OG1' ' B' ' 81' ' ' THR . 1.3 t -60.67 -43.92 95.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -60.45 -42.69 96.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.585 -0.697 . . . . 0.0 109.848 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.79 -45.47 93.71 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 110.505 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.56 -28.83 7.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 109.83 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 95.0 m -68.17 -39.93 82.41 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.3 m -69.27 -40.07 78.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.803 -0.561 . . . . 0.0 109.614 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.6 97.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.268 -0.895 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 t -63.46 -40.72 97.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.815 . . . . 0.0 109.944 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.02 -40.08 88.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.017 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.56 -21.43 65.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.663 -0.648 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.73 -40.35 87.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.182 -0.949 . . . . 0.0 110.34 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -81.12 109.9 16.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.17 -0.956 . . . . 0.0 109.406 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -98.93 -107.95 0.19 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.49 -40.52 96.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.044 -1.035 . . . . 0.0 109.889 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.87 -179.437 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' X' ' 1' ' ' THR . 32.2 ptt180 -77.76 4.46 11.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.044 -1.035 . . . . 0.0 108.263 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -54.04 -31.08 50.3 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.87 148.03 40.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.378 -0.826 . . . . 0.0 109.644 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.466 HG22 ' H ' ' X' ' 5' ' ' ILE . 0.0 OUTLIER -54.82 158.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.164 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.15 87.42 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.248 0 CA-C-O 121.715 0.769 . . . . 0.0 109.945 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.709 ' CD1' HD12 ' X' ' 10' ' ' ILE . 0.0 OUTLIER -74.89 -24.54 58.56 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.165 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -47.89 -46.02 31.2 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.022 -1.049 . . . . 0.0 109.151 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.61 -41.46 94.85 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.344 -0.847 . . . . 0.0 109.329 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.709 HD12 ' CD1' ' X' ' 7' ' ' TRP . 92.8 mt -60.22 -47.8 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.204 -0.935 . . . . 0.0 110.467 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.97 -40.22 88.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.087 -1.008 . . . . 0.0 109.031 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.28 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 33.8 ptt180 -77.52 3.9 12.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.985 -1.072 . . . . 0.0 108.267 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -53.62 -31.03 45.47 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -60.93 147.97 41.36 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.426 -0.796 . . . . 0.0 109.403 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.45 HG22 ' H ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -54.72 158.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.007 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' N ' HG12 ' Y' ' 5' ' ' ILE . 26.0 t0 -59.86 87.48 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.596 0.712 . . . . 0.0 109.953 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.685 ' CD1' HD12 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -74.96 -24.29 58.43 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -48.33 -45.82 35.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.09 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -60.96 -41.02 95.51 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.35 -0.844 . . . . 0.0 109.471 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 83.9 mt -60.35 -47.9 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.296 -0.878 . . . . 0.0 110.184 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.06 -39.52 86.31 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.123 -0.985 . . . . 0.0 109.417 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.299 -1.589 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.233 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.454 0.645 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.98 -35.66 74.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.0 108.894 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' SD ' ' A' ' 7' ' ' MET . 6.7 tt -68.9 -26.42 65.09 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.325 -0.86 . . . . 0.0 110.453 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' CD1' ' B' ' 43' ' ' PHE . 87.2 mt-10 -60.06 -49.08 79.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.041 -1.037 . . . . 0.0 110.434 -178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.98 -37.59 75.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.915 -1.116 . . . . 0.0 109.601 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.35 92.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.299 -0.876 . . . . 0.0 109.913 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 3' ' ' LEU . 65.6 mtp -59.96 -40.01 87.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.835 -1.166 . . . . 0.0 109.261 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.0 -40.31 82.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.74 -45.16 87.66 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.991 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' B' ' 10' ' ' LEU . 88.1 mt -62.94 -40.0 96.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.08 -1.012 . . . . 0.0 109.925 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.26 -42.18 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.647 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -69.51 -39.37 77.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.0 110.167 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 9' ' ' ALA . 54.3 t -58.44 -35.76 55.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.082 -1.011 . . . . 0.0 108.352 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CE2' ' NE2' ' B' ' 85' ' ' HIS . 85.2 t80 -59.83 -49.97 75.61 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.517 -0.873 . . . . 0.0 108.684 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -64.92 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.635 -0.666 . . . . 0.0 111.21 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -59.95 -46.72 88.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 111.547 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 98.9 m-85 -95.13 -26.07 16.17 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.77 -1.206 . . . . 0.0 111.215 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -65.19 -38.36 90.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.735 -1.228 . . . . 0.0 110.051 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.51 6.72 10.51 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 17' ' ' TYR . 18.6 mmt180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.054 -1.263 . . . . 0.0 109.894 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -136.02 160.92 37.14 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.419 -0.801 . . . . 0.0 109.777 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -48.49 -26.06 4.91 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 26' ' ' LYS . 98.4 m-20 -70.37 46.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' GLY . 37.0 ttpt -60.23 -29.66 68.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.239 -0.913 . . . . 0.0 110.345 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.02 -35.77 74.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.062 -1.024 . . . . 0.0 110.57 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 23' ' ' ASP . 67.4 mmtt -125.77 147.73 49.31 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 0.0 109.628 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -97.59 128.75 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -100.56 154.58 18.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.359 -0.838 . . . . 0.0 108.979 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -45.07 -35.02 2.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.165 -0.96 . . . . 0.0 109.949 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -64.64 -43.86 92.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.9 -1.125 . . . . 0.0 109.159 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -68.8 -39.98 79.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 108.926 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.5 -39.85 92.44 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.635 0.731 . . . . 0.0 109.037 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.0 -42.62 94.65 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.092 -1.005 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -67.13 -39.21 86.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.915 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.94 -50.35 74.1 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.792 -0.567 . . . . 0.0 110.81 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -77.71 -42.06 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.094 -1.004 . . . . 0.0 111.544 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 40.2 p30 -70.05 -22.59 63.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.288 -1.507 . . . . 0.0 110.746 -178.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -87.43 -34.45 18.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.968 -1.082 . . . . 0.0 112.308 -178.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.07 -29.67 8.84 Favored 'General case' 0 N--CA 1.51 2.535 0 O-C-N 120.597 -1.315 . . . . 0.0 111.628 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -97.81 13.71 29.56 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.862 -1.149 . . . . 0.0 108.624 -179.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' LEU . 36.7 p -44.59 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.275 -0.891 . . . . 0.0 111.162 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.41 -22.03 26.8 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -0.93 . . . . 0.0 110.372 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' ' OE2' ' B' ' 4' ' ' GLU . 79.5 m-85 -61.33 -39.01 88.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.184 -0.948 . . . . 0.0 109.445 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 ' CD2' ' HE1' ' X' ' 7' ' ' TRP . 1.5 tp -141.6 -142.81 0.14 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' LEU . 49.3 tp10 -60.0 133.35 56.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.756 -1.215 . . . . 0.0 109.644 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -98.55 119.3 37.03 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.76 118.84 46.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -128.51 -11.02 5.08 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -122.43 162.0 22.46 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.662 0.744 . . . . 0.0 110.246 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.09 -16.59 57.87 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.98 -45.39 89.23 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 118.829 -1.149 . . . . 0.0 110.599 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.2 t -62.07 -43.2 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' MET . 42.0 t -59.99 -46.68 93.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.83 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.41 -47.65 84.8 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -68.45 -35.89 78.23 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.8 t -75.9 -32.7 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.473 -0.767 . . . . 0.0 109.337 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.589 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.7 mmm -70.56 -41.82 71.93 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 108.92 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -61.06 -30.54 70.39 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.0 m -70.03 -39.73 75.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.908 -0.495 . . . . 0.0 110.749 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.44 -53.21 2.84 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.028 -1.045 . . . . 0.0 108.222 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.5 t0 -77.12 58.16 1.51 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.68 5.07 0.9 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.9 m-20 -77.56 -29.51 52.18 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 178.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.6 86.05 Favored Glycine 0 N--CA 1.485 1.913 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p-10 -88.45 1.89 53.88 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.88 36.23 92.49 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.9 mt-10 -144.19 149.57 36.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -1.03 . . . . 0.0 109.866 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -133.24 139.48 46.97 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 13.3 p30 -103.8 172.76 6.63 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.093 -1.005 . . . . 0.0 109.952 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 8.9 p90 -49.12 -45.62 43.83 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 109.482 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.6 tm0? -59.98 -40.0 87.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.069 -1.02 . . . . 0.0 109.479 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 39.8 mt-10 -69.31 -40.09 77.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.092 -1.005 . . . . 0.0 109.828 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.47 -40.01 92.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.064 -1.022 . . . . 0.0 108.863 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.7 mmm -67.8 -30.38 69.79 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.852 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.7 68.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.128 -0.983 . . . . 0.0 109.741 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.02 -39.99 87.73 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.086 -1.009 . . . . 0.0 108.65 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -63.01 -46.49 96.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.298 -0.876 . . . . 0.0 108.853 179.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -60.06 -41.99 93.53 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.547 0.689 . . . . 0.0 109.15 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 46.0 ttp -63.39 -45.92 88.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.701 . . . . 0.0 110.316 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 t -79.47 -28.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.071 -1.018 . . . . 0.0 109.191 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.8 m -60.77 -39.96 90.71 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.976 -1.077 . . . . 0.0 108.533 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.8 m -65.34 -42.38 92.95 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.558 -0.714 . . . . 0.0 109.221 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.55 -47.23 79.53 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.023 . . . . 0.0 108.985 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -63.73 -41.08 98.11 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.53 ' NE2' ' CE2' ' B' ' 14' ' ' PHE . 43.8 t-80 -59.97 -39.97 87.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.625 -0.672 . . . . 0.0 109.721 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.186 -0.946 . . . . 0.0 108.92 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.37 93.81 0.07 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -124.98 134.9 52.42 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.722 0.772 . . . . 0.0 109.094 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -144.83 -151.56 0.38 Allowed 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -61.62 -39.97 93.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.108 -0.995 . . . . 0.0 109.741 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.744 -179.407 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.321 0.581 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.95 -35.98 74.91 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.354 -0.841 . . . . 0.0 108.916 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.415 HD21 ' SD ' ' B' ' 7' ' ' MET . 6.8 tt -68.68 -26.51 65.34 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.42 -0.8 . . . . 0.0 110.481 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE2' ' CD2' ' A' ' 43' ' ' PHE . 86.9 mt-10 -60.03 -49.09 79.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.021 -1.049 . . . . 0.0 110.438 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -70.01 -37.5 75.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.907 -1.121 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.44 92.05 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.918 . . . . 0.0 109.916 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.415 ' SD ' HD21 ' B' ' 3' ' ' LEU . 66.4 mtp -60.03 -40.09 88.16 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.9 -1.125 . . . . 0.0 109.22 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -59.92 -40.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.45 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -65.0 -45.5 85.32 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 120.161 -0.615 . . . . 0.0 109.881 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.479 HD11 HD11 ' A' ' 10' ' ' LEU . 86.9 mt -62.62 -40.05 95.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.094 -1.003 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.19 -42.27 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.107 -0.996 . . . . 0.0 109.723 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -69.37 -39.44 78.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.195 -0.94 . . . . 0.0 110.119 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 9' ' ' ALA . 53.7 t -58.25 -35.96 55.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.53 ' CE2' ' NE2' ' A' ' 85' ' ' HIS . 86.2 t80 -59.59 -50.03 75.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.466 -0.893 . . . . 0.0 108.653 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.663 -0.648 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.02 -46.49 89.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.973 -1.079 . . . . 0.0 111.485 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' B' ' 20' ' ' ARG . 98.9 m-85 -95.25 -26.19 16.05 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.81 -1.181 . . . . 0.0 111.1 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -65.05 -38.6 91.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.803 -1.186 . . . . 0.0 110.112 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.36 6.74 10.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 17' ' ' TYR . 18.7 mmt180 -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.072 -1.252 . . . . 0.0 109.897 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -135.93 161.0 36.85 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.379 -0.826 . . . . 0.0 109.724 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -48.43 -26.22 4.93 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 26' ' ' LYS . 97.4 m-20 -70.34 46.56 0.09 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -1.184 . . . . 0.0 109.514 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' B' ' 22' ' ' GLY . 36.4 ttpt -60.16 -29.55 68.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 110.292 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -70.0 -36.11 74.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.072 -1.018 . . . . 0.0 110.625 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' B' ' 23' ' ' ASP . 67.8 mmtt -125.51 147.78 49.12 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.265 -0.897 . . . . 0.0 109.659 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -97.54 128.76 44.54 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 29' ' ' LYS . 37.0 ttpt -100.45 154.49 18.49 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.264 -0.898 . . . . 0.0 108.95 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' B' ' 28' ' ' LYS . 16.7 ptpt -44.98 -35.16 2.75 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.256 -0.903 . . . . 0.0 109.917 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -64.6 -43.91 92.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.857 -1.152 . . . . 0.0 109.14 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -68.71 -39.95 80.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 108.896 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.53 -39.83 92.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.652 0.739 . . . . 0.0 109.018 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.96 -42.41 94.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.026 -1.046 . . . . 0.0 109.439 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -67.45 -38.95 85.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.0 108.967 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.8 tp -60.01 -50.59 73.14 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.799 -0.563 . . . . 0.0 110.733 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -77.58 -42.21 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.194 -0.941 . . . . 0.0 111.537 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' B' ' 38' ' ' ASN . 39.6 p30 -70.02 -22.53 63.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.307 -1.496 . . . . 0.0 110.716 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.38 -34.55 18.74 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.903 -1.123 . . . . 0.0 112.27 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -107.83 -29.99 8.77 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.66 -1.275 . . . . 0.0 111.633 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -97.79 13.59 29.93 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.864 -1.148 . . . . 0.0 108.691 -179.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.423 ' O ' ' O ' ' B' ' 40' ' ' LEU . 44.3 p -44.43 -96.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 111.15 -178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.38 -22.22 26.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.213 -0.93 . . . . 0.0 110.376 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.536 ' CD1' ' OE2' ' A' ' 4' ' ' GLU . 79.4 m-85 -60.92 -39.19 88.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 0.0 109.552 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.556 ' CD2' ' HE1' ' Y' ' 7' ' ' TRP . 1.5 tp -141.56 -142.62 0.14 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' B' ' 40' ' ' LEU . 49.5 tp10 -60.12 133.71 56.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.741 -1.225 . . . . 0.0 109.528 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -99.01 119.48 37.85 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.84 118.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -128.25 -11.11 5.23 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -122.45 162.03 22.44 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.668 0.747 . . . . 0.0 110.324 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -77.95 -16.78 57.89 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.93 -45.64 88.33 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.563 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.77 -43.26 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 57' ' ' MET . 42.8 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.788 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' B' ' 54' ' ' ASP . 44.5 t0 -61.25 -47.68 84.93 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.362 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -68.34 -35.99 78.59 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.66 -32.92 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.437 -0.79 . . . . 0.0 109.375 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.6 mmm -70.47 -41.73 72.38 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.289 -0.882 . . . . 0.0 109.009 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.0 -30.6 70.38 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -70.0 -39.65 75.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.896 -0.503 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.43 -53.31 2.82 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.022 -1.049 . . . . 0.0 108.225 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 57' ' ' MET . 38.2 t0 -76.9 58.15 1.43 Allowed 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.74 4.91 0.96 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.9 m-20 -77.48 -29.55 52.7 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.44 86.25 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 107.856 -2.098 . . . . 0.0 107.856 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 53.8 p-10 -88.44 2.14 53.34 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.491 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.67 36.0 92.02 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.9 mt-10 -143.96 149.68 37.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -1.032 . . . . 0.0 109.921 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -133.3 139.28 46.8 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 72' ' ' GLU . 13.9 p30 -103.67 172.82 6.59 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.155 -0.966 . . . . 0.0 109.98 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 8.8 p90 -49.19 -45.62 44.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.445 -0.784 . . . . 0.0 109.484 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.557 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 1.6 tm0? -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 109.417 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 39.9 mt-10 -69.24 -39.98 78.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.039 -1.038 . . . . 0.0 109.982 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.54 -40.0 93.09 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.045 -1.034 . . . . 0.0 108.863 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.55 -30.8 70.54 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.239 -0.985 . . . . 0.0 108.993 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.14 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.111 -0.993 . . . . 0.0 109.836 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -59.96 -40.21 88.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.11 -0.994 . . . . 0.0 108.527 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.433 ' H ' HG23 ' B' ' 77' ' ' VAL . 0.7 OUTLIER -62.85 -46.37 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.286 -0.884 . . . . 0.0 108.914 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -59.99 -42.2 93.7 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 121.583 0.706 . . . . 0.0 109.187 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 46.1 ttp -63.26 -46.44 86.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.549 -0.719 . . . . 0.0 110.337 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 t -79.1 -28.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.235 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -60.95 -40.04 91.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.533 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -65.34 -42.4 92.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.569 -0.707 . . . . 0.0 109.206 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.22 79.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.071 -1.018 . . . . 0.0 109.053 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.69 -41.1 98.19 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' CE2' ' A' ' 14' ' ' PHE . 44.0 t-80 -60.11 -39.94 87.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.588 -0.695 . . . . 0.0 109.631 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -39.92 87.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.116 -0.99 . . . . 0.0 108.941 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.47 94.11 0.08 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -125.27 134.72 52.18 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.707 0.765 . . . . 0.0 109.182 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -144.69 -151.63 0.38 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -61.61 -40.01 93.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.0 109.74 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.753 -179.52 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.185 0.517 . . . . 0.0 109.713 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -92.92 6.62 47.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.144 -0.972 . . . . 0.0 109.897 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.422 HG22 ' H ' ' X' ' 3' ' ' THR . 0.0 OUTLIER -88.23 4.44 45.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.076 -1.015 . . . . 0.0 108.988 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.26 143.12 58.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.545 HD12 ' N ' ' X' ' 6' ' ' ASP . 1.7 pp -70.3 -150.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.874 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.545 ' N ' HD12 ' X' ' 5' ' ' ILE . 25.1 p-10 -91.88 62.08 4.25 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 111.389 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.546 ' HE1' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.7 -24.77 64.53 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.663 HD22 ' N ' ' X' ' 8' ' ' ASN . 0.0 OUTLIER -51.51 -35.37 40.18 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.577 -1.327 . . . . 0.0 109.867 -178.695 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.57 -42.5 74.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.957 -1.089 . . . . 0.0 110.699 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' X' ' 7' ' ' TRP . 1.5 pt -79.56 -41.08 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 120.777 -1.202 . . . . 0.0 109.727 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.5 -40.0 93.01 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.096 -1.003 . . . . 0.0 109.21 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.616 179.806 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -92.87 6.72 46.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.128 -0.983 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.431 ' H ' HG22 ' Y' ' 3' ' ' THR . 0.0 OUTLIER -88.39 4.46 46.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.065 -1.022 . . . . 0.0 108.939 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.96 142.71 58.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.527 -0.733 . . . . 0.0 109.701 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.563 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.8 pp -70.04 -149.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.883 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.563 ' N ' HD12 ' Y' ' 5' ' ' ILE . 25.1 p-10 -92.18 62.11 4.06 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.311 -0.868 . . . . 0.0 111.29 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.556 ' HE1' ' CD2' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -68.64 -24.64 64.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.105 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.65 HD22 ' N ' ' Y' ' 8' ' ' ASN . 0.0 OUTLIER -51.67 -35.67 43.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.584 -1.322 . . . . 0.0 109.952 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.28 -42.58 75.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.937 -1.102 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' Y' ' 7' ' ' TRP . 1.5 pt -79.23 -42.46 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.803 -1.185 . . . . 0.0 109.624 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.0 -39.99 87.67 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.058 -1.026 . . . . 0.0 109.513 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.571 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.66 -39.0 90.9 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.874 . . . . 0.0 108.974 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.92 -24.82 64.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 110.835 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -50.1 75.08 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.695 -1.253 . . . . 0.0 110.461 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -38.46 76.11 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.875 -1.141 . . . . 0.0 109.407 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.96 87.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.277 -0.889 . . . . 0.0 109.881 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.2 tpp -59.96 -40.13 87.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.888 -1.133 . . . . 0.0 108.767 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.33 -40.24 83.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.83 87.33 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.18 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.3 -40.08 92.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.041 -1.037 . . . . 0.0 109.502 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.7 mt -68.55 -42.87 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.148 -0.97 . . . . 0.0 110.016 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.45 -39.99 73.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.873 -1.142 . . . . 0.0 109.4 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -58.59 -34.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.97 -48.93 79.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.839 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -78.75 -23.53 45.33 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.135 -0.978 . . . . 0.0 111.211 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.01 -45.46 92.67 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.006 -1.059 . . . . 0.0 111.523 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 35' ' ' LEU . 42.7 p90 -105.07 -30.36 9.81 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 120.884 -1.135 . . . . 0.0 111.313 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.917 -1.115 . . . . 0.0 110.554 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.43 12.44 58.75 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 20' ' ' ARG . 4.9 ptm180 -65.92 -40.04 91.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.611 -1.523 . . . . 0.0 109.462 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -164.65 165.65 20.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.181 -0.949 . . . . 0.0 109.604 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.34 -157.45 53.47 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -81.29 121.23 25.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.331 -1.099 . . . . 0.0 109.616 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -62.78 -29.35 70.64 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.369 -0.832 . . . . 0.0 109.498 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -72.62 -19.98 61.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.901 . . . . 0.0 110.663 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -129.32 155.51 45.5 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.2 -0.938 . . . . 0.0 109.621 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.02 131.3 56.48 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 0.0 109.826 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLU . 64.8 tttm -98.17 150.94 20.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 108.654 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' LYS . 12.5 ptpt -40.84 -38.41 0.93 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.398 -0.814 . . . . 0.0 109.927 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -64.94 -42.08 94.95 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' LYS . 89.3 mt-10 -69.94 -40.0 75.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.087 -1.008 . . . . 0.0 109.1 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.07 -39.0 93.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.339 -0.85 . . . . 0.0 109.47 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.34 -39.98 80.9 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 54.0 tp10 -63.11 -41.39 99.34 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -60.03 -48.48 81.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.811 . . . . 0.0 109.328 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.36 -42.3 81.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.352 -0.842 . . . . 0.0 110.773 -178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -84.4 -23.33 30.1 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.943 -1.098 . . . . 0.0 111.84 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -88.17 -33.98 17.99 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.393 -1.442 . . . . 0.0 111.265 -177.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 40' ' ' LEU . 63.6 mm-40 -92.83 -14.9 27.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.783 -1.198 . . . . 0.0 110.271 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -162.4 75.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.772 -1.205 . . . . 0.0 110.417 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.15 -70.38 0.62 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.738 -1.226 . . . . 0.0 109.686 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -87.87 -33.21 18.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.175 -0.953 . . . . 0.0 111.18 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.09 -40.0 88.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.931 -1.106 . . . . 0.0 109.241 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 40' ' ' LEU . 17.9 tp -159.97 141.76 12.91 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' OE2' ' CH2' ' X' ' 7' ' ' TRP . 31.0 mt-10 51.19 92.44 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.554 -0.859 . . . . 0.0 111.269 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -94.52 136.09 35.22 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.6 HD13 ' HE1' ' X' ' 7' ' ' TRP . 3.1 mm -115.05 114.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.57 -14.13 7.83 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -124.43 156.51 37.05 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.581 0.705 . . . . 0.0 110.324 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.502 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -79.99 -13.91 58.98 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.08 -40.53 94.79 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.3 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -45.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 57' ' ' MET . 9.3 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.054 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 52.2 m-20 -61.9 -43.85 97.99 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.227 -1.389 . . . . 0.0 110.075 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.98 -39.92 75.67 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 118.83 -1.148 . . . . 0.0 109.121 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.6 -38.43 67.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-O 122.038 0.923 . . . . 0.0 108.564 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' ASP . 13.3 tpt -70.56 -40.79 73.15 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.29 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -64.18 -39.79 94.75 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.457 0.646 . . . . 0.0 109.657 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 72' ' ' GLU . 10.0 mp -97.88 -47.73 5.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.363 -0.836 . . . . 0.0 109.256 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' MET . 66.2 t0 -74.72 51.2 0.47 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -66.53 -0.06 2.55 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 92.1 m-20 -77.34 -34.15 55.3 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.62 83.42 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.942 -2.463 . . . . 0.0 106.942 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 47.1 p-10 -85.09 1.69 46.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.03 30.61 74.14 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.462 -1.855 . . . . 0.0 108.462 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -145.89 159.69 42.87 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.327 -1.102 . . . . 0.0 110.453 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.98 122.25 25.24 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.21 168.15 19.44 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.493 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -56.08 -40.03 73.0 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.174 -0.954 . . . . 0.0 108.73 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.13 -40.43 95.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.066 -1.021 . . . . 0.0 109.396 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 80.4 mt-10 -69.99 -40.91 75.04 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.01 -1.056 . . . . 0.0 109.319 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE2' ' OH ' ' A' ' 17' ' ' TYR . 2.6 t80 -63.93 -37.33 87.02 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.98 -33.38 71.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.44 -27.84 66.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.241 -0.912 . . . . 0.0 110.03 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CE2' HG21 ' A' ' 80' ' ' VAL . 58.0 t80 -59.98 -42.66 94.64 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.756 -1.215 . . . . 0.0 108.522 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -45.1 97.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -61.58 -40.45 94.8 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.041 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 52.7 ttp -66.37 -45.32 80.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.124 -0.985 . . . . 0.0 109.424 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 76' ' ' PHE . 61.3 t -70.47 -36.67 67.3 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 119.085 -1.046 . . . . 0.0 108.662 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -62.38 -40.0 95.01 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.229 -0.919 . . . . 0.0 109.257 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -40.02 71.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.76 74.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.314 -0.866 . . . . 0.0 110.392 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 88.6 m -61.9 -48.55 79.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 108.951 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.75 -39.91 90.45 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.678 0.751 . . . . 0.0 109.153 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.79 -39.69 85.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.64 -0.662 . . . . 0.0 109.867 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.32 104.89 0.29 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.058 -1.026 . . . . 0.0 109.832 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' CE2' ' O ' ' A' ' 89' ' ' GLU . 68.0 t80 -116.29 139.92 49.87 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.723 0.773 . . . . 0.0 108.99 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 86.1 tt0 -82.38 109.6 16.78 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -60.04 -39.93 87.62 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.374 179.686 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.74 -39.18 90.87 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 108.967 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.03 -24.72 64.75 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.01 -50.07 75.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.607 -1.308 . . . . 0.0 110.56 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.05 75.68 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.828 -1.17 . . . . 0.0 109.391 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.387 -0.82 . . . . 0.0 110.009 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 58.0 tpp -59.98 -40.28 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.952 -1.092 . . . . 0.0 108.744 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.29 -40.04 82.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.53 86.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.242 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.56 -40.08 93.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.094 -1.004 . . . . 0.0 109.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -68.68 -42.63 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.116 -0.99 . . . . 0.0 110.006 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -70.55 -39.87 73.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.905 -1.122 . . . . 0.0 109.38 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.77 -34.59 52.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.61 -49.08 79.13 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.297 -0.877 . . . . 0.0 109.826 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.74 -23.47 45.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.085 -1.009 . . . . 0.0 111.318 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.99 -45.48 92.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.0 -1.062 . . . . 0.0 111.546 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.461 ' CD2' HD23 ' B' ' 35' ' ' LEU . 43.0 p90 -104.93 -30.25 9.95 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 120.87 -1.143 . . . . 0.0 111.345 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.901 -1.124 . . . . 0.0 110.605 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.38 11.98 59.76 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.416 ' HG3' HH11 ' B' ' 20' ' ' ARG . 4.8 ptm180 -65.51 -40.17 92.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.708 -1.466 . . . . 0.0 109.537 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.77 165.63 20.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.181 -0.949 . . . . 0.0 109.462 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.55 -157.21 53.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 26' ' ' LYS . 56.4 t0 -81.6 121.04 25.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.388 -1.066 . . . . 0.0 109.572 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.81 -29.21 70.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.819 . . . . 0.0 109.467 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -72.63 -20.01 61.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.336 -0.852 . . . . 0.0 110.631 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' B' ' 23' ' ' ASP . 63.3 mttp -129.4 156.02 44.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.22 -0.925 . . . . 0.0 109.736 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -118.43 131.17 56.28 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.609 -0.682 . . . . 0.0 109.874 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' B' ' 29' ' ' LYS . 63.8 tttm -97.85 151.07 20.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 108.674 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' B' ' 28' ' ' LYS . 11.5 ptpt -40.96 -38.53 0.99 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.396 -0.815 . . . . 0.0 109.878 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.8 p -64.77 -42.14 95.34 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.198 -0.939 . . . . 0.0 109.839 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 28' ' ' LYS . 89.3 mt-10 -69.92 -39.94 75.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.038 -1.039 . . . . 0.0 109.083 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.48 -38.24 90.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.32 -0.862 . . . . 0.0 109.481 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.74 -40.01 82.59 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 38' ' ' ASN . 54.0 tp10 -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.739 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -59.94 -48.86 79.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.447 -0.783 . . . . 0.0 109.174 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.0 110.856 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -84.32 -23.21 30.35 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.964 -1.085 . . . . 0.0 111.943 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -88.1 -34.01 18.06 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.376 -1.453 . . . . 0.0 111.176 -177.727 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' C ' HD23 ' B' ' 40' ' ' LEU . 63.4 mm-40 -92.86 -14.96 27.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.706 -1.246 . . . . 0.0 110.295 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.753 ' N ' HD23 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -162.12 75.24 0.45 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.728 -1.233 . . . . 0.0 110.474 179.66 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.9 -70.31 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.779 -1.201 . . . . 0.0 109.739 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -88.02 -33.09 18.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.171 -0.956 . . . . 0.0 111.21 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -60.01 -40.01 87.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.972 -1.08 . . . . 0.0 109.199 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 40' ' ' LEU . 17.3 tp -160.12 141.9 12.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' OE2' ' CH2' ' Y' ' 7' ' ' TRP . 30.7 mt-10 51.08 92.26 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.315 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.33 136.51 34.54 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.672 HD13 ' HE1' ' Y' ' 7' ' ' TRP . 3.0 mm -115.39 114.89 47.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.413 ' HE3' ' H ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -122.64 -14.2 7.8 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -124.57 156.49 37.3 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.564 0.697 . . . . 0.0 110.289 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -79.98 -13.99 58.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -65.06 -40.78 95.22 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 118.825 -1.15 . . . . 0.0 110.198 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.58 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' B' ' 57' ' ' MET . 6.6 t -59.99 -49.3 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.083 178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 52.9 m-20 -61.97 -43.83 98.03 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.087 -1.445 . . . . 0.0 110.099 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -69.93 -40.01 75.79 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 118.78 -1.168 . . . . 0.0 109.136 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.38 -38.51 69.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.585 ' O ' ' N ' ' B' ' 61' ' ' ASP . 12.9 tpt -70.6 -40.75 73.01 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.17 -32.17 73.64 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.742 -1.206 . . . . 0.0 107.742 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.3 m -63.93 -39.9 95.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.671 -0.643 . . . . 0.0 109.519 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 72' ' ' GLU . 9.8 mp -97.78 -47.64 5.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.424 -0.798 . . . . 0.0 109.265 -179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' B' ' 57' ' ' MET . 66.1 t0 -74.83 51.37 0.49 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.51 -0.56 2.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' B' ' 61' ' ' ASP . 92.9 m-20 -77.03 -33.99 57.33 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 10.83 83.48 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.089 -2.404 . . . . 0.0 107.089 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.9 p-10 -85.11 1.67 46.82 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.526 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.92 30.9 74.55 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.1 mt-10 -146.12 159.48 43.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.46 -1.024 . . . . 0.0 110.504 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.83 122.07 25.14 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -80.47 167.7 19.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.233 -0.917 . . . . 0.0 109.333 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' B' ' 70' ' ' PHE . 3.5 p90 -55.37 -40.34 71.19 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.492 -0.883 . . . . 0.0 109.001 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.28 -40.14 95.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.891 -1.131 . . . . 0.0 109.428 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.486 ' O ' HD23 ' B' ' 60' ' ' LEU . 79.8 mt-10 -69.92 -41.01 75.19 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.022 -1.049 . . . . 0.0 109.242 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.406 ' CE2' ' OH ' ' B' ' 17' ' ' TYR . 2.6 t80 -64.09 -37.31 86.98 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.81 -33.73 72.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.09 -27.93 66.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.139 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' B' ' 80' ' ' VAL . 58.6 t80 -60.09 -42.69 95.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.8 -1.188 . . . . 0.0 108.476 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.9 OUTLIER -60.53 -44.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 66.8 m -62.03 -40.4 95.6 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.986 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 55.2 ttp -66.19 -45.4 80.96 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' B' ' 76' ' ' PHE . 59.4 t -70.46 -36.59 67.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.689 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 94.7 m -62.53 -40.03 95.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.101 -0.999 . . . . 0.0 109.212 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.7 p -71.05 -39.99 71.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.52 -0.737 . . . . 0.0 110.33 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.91 -43.77 74.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.354 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.84 -48.83 78.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.104 -0.997 . . . . 0.0 108.883 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.48 -40.0 89.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.656 0.741 . . . . 0.0 109.206 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -59.88 -39.62 85.91 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.621 -0.675 . . . . 0.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.09 104.81 0.27 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.004 -1.06 . . . . 0.0 109.81 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' O ' ' B' ' 89' ' ' GLU . 67.0 t80 -116.38 139.88 49.94 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.901 0.857 . . . . 0.0 108.931 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.486 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 86.1 tt0 -82.47 109.87 17.08 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.399 179.645 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' X' ' 4' ' ' LYS . 98.3 mtt180 -62.69 -40.65 97.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.256 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m 68.49 -6.52 0.8 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.653 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' X' ' 5' ' ' ILE . 0.2 OUTLIER -161.54 179.97 7.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.208 -0.932 . . . . 0.0 109.291 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' X' ' 4' ' ' LYS . 1.0 OUTLIER -61.1 -139.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' X' ' 8' ' ' ASN . 44.0 t0 -141.25 135.69 30.92 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.759 -1.213 . . . . 0.0 109.733 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.6 ' HE1' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.474 -0.766 . . . . 0.0 110.277 -179.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.622 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.4 OUTLIER -55.3 -36.02 65.72 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.443 -1.41 . . . . 0.0 110.21 -178.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.622 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 63.8 tttp -60.03 -45.79 91.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.057 -1.027 . . . . 0.0 110.223 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.404 HD11 HD11 ' X' ' 5' ' ' ILE . 86.8 mt -69.96 -40.01 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 121.217 -0.927 . . . . 0.0 111.131 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.95 -39.98 87.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.98 -1.075 . . . . 0.0 109.204 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.276 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.439 ' C ' ' H ' ' Y' ' 4' ' ' LYS . 99.1 mtt180 -63.19 -39.95 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.183 -0.948 . . . . 0.0 109.23 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m 68.2 -6.84 0.71 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.553 -0.717 . . . . 0.0 109.781 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.2 OUTLIER -161.4 -179.99 7.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.199 179.489 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 1.0 OUTLIER -61.27 -139.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.313 -0.867 . . . . 0.0 108.841 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.436 ' OD2' ' OD1' ' Y' ' 8' ' ' ASN . 43.3 t0 -140.98 135.85 31.57 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.872 -1.143 . . . . 0.0 109.798 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.672 ' HE1' HD13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.504 -0.747 . . . . 0.0 110.295 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.62 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.4 OUTLIER -55.36 -35.97 65.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.419 -1.425 . . . . 0.0 110.221 -178.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.62 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -60.11 -45.69 92.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.068 -1.02 . . . . 0.0 110.192 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.411 HD11 HD11 ' Y' ' 5' ' ' ILE . 84.8 mt -70.04 -40.1 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 111.027 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.86 -39.96 86.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.821 -1.175 . . . . 0.0 109.433 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.437 -179.796 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -67.75 -39.96 84.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.428 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.01 -30.45 69.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.824 -1.173 . . . . 0.0 109.871 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' B' ' 39' ' ' GLU . 97.3 mt-10 -59.91 -48.94 79.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.009 -1.057 . . . . 0.0 110.468 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.92 68.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.794 -1.191 . . . . 0.0 108.975 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.02 90.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -0.865 . . . . 0.0 109.357 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.06 -40.84 90.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.132 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.98 -40.07 81.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-O 121.795 0.807 . . . . 0.0 108.902 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -40.55 88.76 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.658 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.49 -40.0 92.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.863 -1.148 . . . . 0.0 109.895 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.3 mt -70.14 -41.66 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.022 -1.048 . . . . 0.0 110.365 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -64.94 -42.96 94.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.589 -1.319 . . . . 0.0 109.619 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.19 -29.65 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.41 -0.806 . . . . 0.0 108.975 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.15 -48.32 82.04 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.403 -0.81 . . . . 0.0 109.79 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.419 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 27.0 m-70 -77.44 -25.16 50.38 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -0.928 . . . . 0.0 111.441 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -59.99 -40.33 88.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.716 -1.24 . . . . 0.0 111.812 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 90.4 m-85 -107.74 -31.02 8.23 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.909 -1.119 . . . . 0.0 111.132 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -64.08 -40.0 95.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.907 -1.121 . . . . 0.0 109.987 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.41 1.63 88.36 Favored Glycine 0 N--CA 1.492 2.417 0 C-N-CA 120.262 -0.971 . . . . 0.0 110.74 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -66.37 -39.87 89.37 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.745 -1.444 . . . . 0.0 109.178 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 22' ' ' GLY . 99.7 mt-10 -128.38 174.14 9.58 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -57.19 -157.42 0.01 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' A' ' 26' ' ' LYS . 93.9 m-20 51.05 46.96 25.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.763 -1.434 . . . . 0.0 108.628 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -61.07 -32.94 72.58 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.4 -34.96 73.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 110.821 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 23' ' ' ASP . 96.1 mttt -128.21 153.8 46.53 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.121 -0.987 . . . . 0.0 110.479 -178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.21 117.79 32.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.126 -0.984 . . . . 0.0 109.131 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.9 ttmm -82.38 155.28 24.8 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 8.3 mtmp? -42.77 -39.48 2.48 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.215 -0.928 . . . . 0.0 110.012 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -60.09 -43.45 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.915 . . . . 0.0 110.576 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.05 -40.05 75.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.733 -1.229 . . . . 0.0 108.725 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -39.68 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.53 -42.3 91.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.265 -0.897 . . . . 0.0 109.026 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -67.99 -39.8 83.2 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -50.96 71.94 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.631 -0.668 . . . . 0.0 109.911 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.02 -42.32 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.001 -1.062 . . . . 0.0 110.018 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -70.68 -26.11 63.29 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.379 -1.451 . . . . 0.0 110.958 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.549 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -87.85 -34.09 18.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.805 -1.185 . . . . 0.0 112.003 -177.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' OE2' ' B' ' 4' ' ' GLU . 97.2 mt-10 -106.94 -32.85 7.71 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.859 -1.15 . . . . 0.0 111.325 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -99.99 19.38 16.35 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 96.7 p -44.08 -97.76 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 111.355 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' N ' ' OG ' ' A' ' 41' ' ' SER . 79.0 t60 -84.95 -21.87 29.42 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.918 . . . . 0.0 110.06 -178.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.89 -37.56 79.74 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.15 -0.968 . . . . 0.0 108.608 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' X' ' 7' ' ' TRP . 8.1 mt -142.05 -158.42 0.86 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.206 -0.934 . . . . 0.0 109.28 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.66 135.17 2.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.134 -0.979 . . . . 0.0 110.613 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 53.1 tp10 -98.81 122.74 42.44 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 52' ' ' VAL . 49.7 mm -91.05 110.01 21.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.184 0 CA-C-O 121.822 0.82 . . . . 0.0 110.532 -177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -119.81 -12.05 9.27 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.61 145.16 48.61 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.592 0.71 . . . . 0.0 110.675 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -69.96 -22.11 63.19 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 10.3 pt-20 -59.97 -43.01 95.37 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.954 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 47' ' ' ILE . 43.8 t -60.01 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -61.69 -41.17 89.42 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.871 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.501 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -69.99 -41.31 74.57 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.654 -1.219 . . . . 0.0 109.075 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -69.96 -38.33 76.09 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.57 -31.5 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.601 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -70.07 -42.43 72.82 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 62' ' ' GLU . 86.1 tt0 -60.03 -34.08 72.89 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' SD ' ' A' ' 79' ' ' MET . 94.3 m -70.15 -39.88 75.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.788 -0.57 . . . . 0.0 111.019 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.94 -52.85 2.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 57' ' ' MET . 24.6 t0 -80.72 59.7 3.74 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 58' ' ' GLU . 45.1 mm-40 -66.05 4.37 0.68 Allowed 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.636 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.4 m-20 -79.37 -29.84 42.29 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 105.893 -1.891 . . . . 0.0 105.893 177.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.4 11.92 81.3 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -88.11 0.01 56.53 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 68.93 30.13 72.38 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 108.149 -1.98 . . . . 0.0 108.149 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 97.8 mt-10 -143.43 157.11 44.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.548 -0.972 . . . . 0.0 110.291 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 t -130.06 122.1 27.71 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.89 167.74 20.14 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.362 -0.837 . . . . 0.0 109.255 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 28.5 p90 -55.79 -40.07 72.17 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 108.826 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.591 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 64.0 tt0 -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.292 -0.88 . . . . 0.0 109.183 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -69.72 -38.36 76.85 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 110.414 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.24 -41.02 87.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.869 -1.144 . . . . 0.0 109.377 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 57.0 tpp -64.17 -31.62 72.88 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.968 -1.082 . . . . 0.0 108.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.44 -30.53 70.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.123 -0.986 . . . . 0.0 109.985 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 80' ' ' VAL . 67.0 t80 -59.82 -40.08 87.21 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 108.856 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.63 -40.91 88.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 O-C-N 121.237 -0.915 . . . . 0.0 108.54 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -60.49 -46.46 90.03 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.477 0.656 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.401 ' SD ' HG21 ' A' ' 59' ' ' THR . 61.9 ttp -65.46 -42.24 92.54 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.827 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 76' ' ' PHE . 17.5 t -80.0 -29.05 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.757 -1.214 . . . . 0.0 108.901 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.3 m -60.64 -40.04 90.52 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.095 -1.003 . . . . 0.0 108.921 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 p -71.16 -42.38 69.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.542 -0.723 . . . . 0.0 110.947 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.99 75.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.918 -1.114 . . . . 0.0 110.284 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.2 t -63.06 -42.8 99.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 109.42 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' NE2' ' B' ' 15' ' ' HIS . 8.5 t60 -69.94 -39.86 75.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.79 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -74.19 -5.49 42.18 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.432 -0.793 . . . . 0.0 110.527 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.98 -41.34 91.81 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.651 -1.28 . . . . 0.0 110.892 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.2 p90 -98.9 -165.29 1.22 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.738 -1.226 . . . . 0.0 108.425 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 52.56 43.4 31.17 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.924 0.868 . . . . 0.0 109.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -60.05 -40.05 88.09 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.91 -1.043 . . . . 0.0 109.077 179.503 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -67.76 -40.1 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -59.91 -30.55 69.11 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.826 -1.172 . . . . 0.0 109.918 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 39' ' ' GLU . 97.1 mt-10 -59.95 -48.81 80.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.981 -1.075 . . . . 0.0 110.496 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -31.08 68.52 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.743 -1.223 . . . . 0.0 108.908 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.96 90.81 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.368 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.3 tpp -59.97 -40.89 90.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.23 -39.9 82.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.775 0.798 . . . . 0.0 108.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.453 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -67.05 -40.08 87.06 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.691 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.75 -40.07 91.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.899 -1.126 . . . . 0.0 109.882 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.11 -41.5 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.964 -1.085 . . . . 0.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -65.07 -42.45 94.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.585 -1.322 . . . . 0.0 109.801 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 9' ' ' ALA . 76.5 t -59.63 -29.84 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.364 -0.835 . . . . 0.0 108.928 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -58.75 -48.52 80.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.422 -0.799 . . . . 0.0 109.834 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.408 ' NE2' ' CE1' ' A' ' 85' ' ' HIS . 24.6 m-70 -77.39 -25.22 50.65 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.207 -0.933 . . . . 0.0 111.441 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.01 -40.49 89.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.662 -1.274 . . . . 0.0 111.785 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -107.64 -30.72 8.43 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.856 -1.152 . . . . 0.0 111.041 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t -64.16 -40.07 95.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.817 -1.177 . . . . 0.0 110.053 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.25 1.52 88.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -66.32 -39.94 89.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.759 -1.436 . . . . 0.0 109.197 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' B' ' 22' ' ' GLY . 99.6 mt-10 -128.36 173.95 9.74 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.505 -0.747 . . . . 0.0 108.989 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -57.06 -157.37 0.01 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' B' ' 26' ' ' LYS . 93.8 m-20 51.12 46.81 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.76 -1.435 . . . . 0.0 108.576 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.04 -32.94 72.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.868 . . . . 0.0 110.338 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -70.32 -35.0 73.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.073 -1.017 . . . . 0.0 110.752 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' B' ' 23' ' ' ASP . 93.8 mttt -128.43 153.88 46.64 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.151 -0.968 . . . . 0.0 110.487 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -97.16 117.98 32.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.165 -0.959 . . . . 0.0 109.108 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' B' ' 29' ' ' LYS . 18.9 ttmm -82.5 155.49 24.54 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.462 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 8.2 mtmp? -42.86 -39.64 2.6 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.25 -0.906 . . . . 0.0 109.962 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.07 -43.29 95.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.06 -40.08 75.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.75 -1.219 . . . . 0.0 108.673 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -39.88 91.45 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.39 -42.42 91.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.915 . . . . 0.0 108.894 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -67.82 -39.98 83.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.09 -51.13 71.38 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.607 -0.683 . . . . 0.0 109.952 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.02 -42.42 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.94 -1.1 . . . . 0.0 109.97 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.62 -26.02 63.3 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.374 -1.454 . . . . 0.0 110.885 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.566 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.2 OUTLIER -87.84 -34.37 18.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.873 -1.142 . . . . 0.0 111.966 -177.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 4' ' ' GLU . 97.1 mt-10 -107.07 -32.54 7.8 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.758 -1.214 . . . . 0.0 111.179 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -100.06 19.2 16.75 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.955 -1.091 . . . . 0.0 108.098 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 89.1 p -44.06 -97.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.466 -0.771 . . . . 0.0 111.46 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.515 ' N ' ' OG ' ' B' ' 41' ' ' SER . 78.4 t60 -85.18 -21.75 29.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.216 -0.928 . . . . 0.0 110.037 -178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.144 -0.973 . . . . 0.0 108.508 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.607 HD22 ' NE1' ' Y' ' 7' ' ' TRP . 8.5 mt -141.85 -158.74 0.89 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.186 -0.946 . . . . 0.0 109.246 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.49 135.07 2.87 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -0.97 . . . . 0.0 110.657 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.491 ' O ' ' NZ ' ' B' ' 48' ' ' LYS . 53.4 tp10 -98.77 122.87 42.56 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 177.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.532 ' CD1' HG11 ' B' ' 52' ' ' VAL . 48.3 mm -91.06 109.87 21.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.116 0 CA-C-O 121.898 0.856 . . . . 0.0 110.503 -177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -119.68 -12.22 9.29 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -122.54 145.37 48.39 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.668 0.747 . . . . 0.0 110.657 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.02 -22.07 63.14 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' B' ' 52' ' ' VAL . 10.5 pt-20 -60.17 -42.79 95.72 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.847 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' B' ' 47' ' ' ILE . 49.4 t -60.11 -47.6 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.15 -40.81 88.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.454 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.01 -41.28 74.55 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.564 -1.254 . . . . 0.0 109.068 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -70.11 -38.26 75.57 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 t -70.79 -31.38 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.606 ' O ' ' N ' ' B' ' 61' ' ' ASP . 1.0 OUTLIER -70.03 -42.33 73.1 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.42 ' O ' ' OE2' ' B' ' 62' ' ' GLU . 86.2 tt0 -60.11 -34.04 72.94 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.15 -39.78 75.15 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.234 0.54 . . . . 0.0 111.076 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.05 -52.97 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.308 -0.87 . . . . 0.0 109.177 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.606 ' N ' ' O ' ' B' ' 57' ' ' MET . 24.5 t0 -80.72 59.96 3.84 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' B' ' 58' ' ' GLU . 44.6 mm-40 -66.29 4.34 0.74 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.509 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' ASP . 94.5 m-20 -79.25 -30.1 42.98 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.68 11.79 81.13 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -88.06 0.01 56.5 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.502 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 68.8 30.42 72.58 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 108.222 -1.951 . . . . 0.0 108.222 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.528 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 97.8 mt-10 -143.58 156.98 44.75 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.488 -1.007 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.99 121.78 27.19 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -79.7 168.04 19.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.402 -0.811 . . . . 0.0 109.19 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.598 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 28.5 p90 -56.26 -40.0 73.51 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.245 -0.909 . . . . 0.0 108.804 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.598 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 63.8 tt0 -62.85 -40.11 96.45 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.315 -0.865 . . . . 0.0 108.925 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -69.95 -38.21 76.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.26 -0.9 . . . . 0.0 110.32 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.42 87.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.844 -1.16 . . . . 0.0 109.346 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 55.7 tpp -64.35 -31.96 73.38 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.935 -1.103 . . . . 0.0 108.773 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.42 -30.22 69.92 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.094 -1.004 . . . . 0.0 109.904 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' B' ' 80' ' ' VAL . 65.4 t80 -59.96 -39.99 87.48 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.039 -1.038 . . . . 0.0 108.797 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.463 ' H ' HG23 ' B' ' 77' ' ' VAL . 1.3 t -61.69 -40.74 87.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.209 -0.932 . . . . 0.0 108.599 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -60.66 -46.34 90.69 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.443 0.64 . . . . 0.0 110.034 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.76 -42.0 91.43 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.742 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 76' ' ' PHE . 20.8 t -79.97 -29.39 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.967 -1.083 . . . . 0.0 108.744 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.1 m -60.56 -40.0 90.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.069 -1.019 . . . . 0.0 108.978 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.8 p -71.32 -42.34 68.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.511 -0.743 . . . . 0.0 110.973 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.77 76.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.971 -1.081 . . . . 0.0 110.334 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -42.81 99.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.162 -0.961 . . . . 0.0 109.392 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' NE2' ' A' ' 15' ' ' HIS . 8.2 t60 -69.84 -39.98 76.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.544 -0.723 . . . . 0.0 109.8 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -74.06 -5.76 43.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.483 -0.761 . . . . 0.0 110.502 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.81 -41.25 90.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.645 -1.284 . . . . 0.0 110.964 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' B' ' 88' ' ' PHE . 1.3 p90 -98.99 -165.13 1.2 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.688 -1.258 . . . . 0.0 108.399 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 52.51 43.27 31.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.927 0.87 . . . . 0.0 109.066 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -59.84 -40.27 87.95 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.113 179.568 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' X' ' 2' ' ' ARG . 47.0 mtt-85 -97.46 5.6 49.44 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 26.9 p -59.94 -40.02 87.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.171 -0.955 . . . . 0.0 109.548 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.65 140.07 58.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.485 -0.76 . . . . 0.0 109.451 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.529 ' C ' HD12 ' X' ' 5' ' ' ILE . 2.8 pp -73.3 -172.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.134 -0.979 . . . . 0.0 109.587 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.473 ' N ' HD12 ' X' ' 5' ' ' ILE . 42.7 t0 -81.61 77.95 8.4 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.594 0.712 . . . . 0.0 111.157 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.6 ' CD1' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.6 -24.23 61.86 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.074 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.09 -45.71 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.959 -1.088 . . . . 0.0 109.274 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.34 -39.85 88.59 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 109.34 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.426 HD12 ' CD1' ' X' ' 7' ' ' TRP . 91.1 mt -60.1 -40.35 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.707 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.05 -39.99 87.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.229 -0.919 . . . . 0.0 108.949 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.377 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 45.1 mtt-85 -97.24 5.58 49.8 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -60.13 -39.84 87.7 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.139 -0.976 . . . . 0.0 109.572 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.87 140.2 58.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.461 -0.774 . . . . 0.0 109.4 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.512 HD12 ' C ' ' Y' ' 5' ' ' ILE . 2.8 pp -73.02 -172.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 121.202 -0.936 . . . . 0.0 109.574 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.469 ' N ' HD12 ' Y' ' 5' ' ' ILE . 43.1 t0 -81.89 78.18 8.63 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.618 0.723 . . . . 0.0 111.017 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.607 ' NE1' HD22 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -71.74 -24.24 61.75 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.17 -45.43 65.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -39.94 89.21 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.293 -0.88 . . . . 0.0 109.223 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' Y' ' 7' ' ' TRP . 84.2 mt -59.97 -40.72 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.258 -0.901 . . . . 0.0 109.776 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.88 -39.71 86.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.277 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.346 179.779 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.362 0.601 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.99 -31.38 70.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.316 -0.865 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.62 -24.74 35.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.078 -1.014 . . . . 0.0 110.987 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' OE2' ' CZ ' ' B' ' 43' ' ' PHE . 98.8 mt-10 -60.01 -47.87 84.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.767 -1.208 . . . . 0.0 110.912 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 10.6 pttp -68.48 -41.61 79.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.632 -1.292 . . . . 0.0 109.055 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 5' ' ' LYS . . . -70.31 -42.02 72.53 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.918 -0.488 . . . . 0.0 111.238 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.97 -41.64 92.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.738 -1.226 . . . . 0.0 108.332 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' GLU . 70.2 t -63.54 -40.04 87.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -46.02 91.53 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.2 -39.95 88.34 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.037 -1.039 . . . . 0.0 108.678 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.17 -40.01 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.36 -0.838 . . . . 0.0 109.11 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -70.08 -40.35 75.05 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.866 -1.146 . . . . 0.0 109.166 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG13 ' OE2' ' A' ' 39' ' ' GLU . 42.3 t -60.02 -39.71 81.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.635 ' CE1' ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -49.05 -57.83 5.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.505 -0.747 . . . . 0.0 110.073 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -74.49 -22.75 58.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.209 -0.932 . . . . 0.0 111.33 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -55.64 -40.2 71.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.211 -0.93 . . . . 0.0 111.095 -177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -119.8 -24.16 6.24 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 121.129 -0.982 . . . . 0.0 110.722 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.7 m -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.826 -1.171 . . . . 0.0 110.308 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.99 1.91 37.41 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 20' ' ' ARG . 38.0 ttt-85 -60.05 -46.81 88.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -1.172 . . . . 0.0 109.622 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -167.13 172.08 10.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.383 -0.823 . . . . 0.0 108.892 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.11 -160.71 27.37 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.912 -1.117 . . . . 0.0 110.676 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 94.7 m-20 -90.27 0.88 57.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.6 -0.941 . . . . 0.0 110.467 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 4.4 tmtt? 80.3 -47.02 0.3 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.656 0.741 . . . . 0.0 109.345 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -72.51 -17.1 61.77 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.478 -0.764 . . . . 0.0 110.242 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -128.57 152.33 48.43 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.375 -0.828 . . . . 0.0 109.728 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.43 120.03 40.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.601 -0.687 . . . . 0.0 109.379 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -85.72 151.06 24.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.224 -0.922 . . . . 0.0 108.612 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.53 -39.96 8.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.169 -0.957 . . . . 0.0 109.459 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -39.95 87.7 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.097 -1.002 . . . . 0.0 109.265 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.037 -1.039 . . . . 0.0 109.101 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.32 -39.77 91.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.378 -0.826 . . . . 0.0 109.015 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -54.72 -40.04 68.82 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 108.631 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.97 -40.01 79.1 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.513 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.71 -50.0 75.52 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.262 -0.898 . . . . 0.0 109.596 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -68.8 -45.7 80.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.393 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -74.13 -23.15 59.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.241 -1.537 . . . . 0.0 110.892 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -86.79 -32.94 20.07 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.616 -1.302 . . . . 0.0 110.611 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' OE2' HG13 ' A' ' 13' ' ' VAL . 99.5 mt-10 -105.93 -27.89 10.92 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.667 -1.271 . . . . 0.0 109.628 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 44' ' ' LEU . 28.3 mt -116.76 35.6 4.53 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 77.3 p -44.08 -91.99 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.291 -0.88 . . . . 0.0 110.175 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.436 ' N ' ' OG ' ' A' ' 41' ' ' SER . 95.2 m-70 -103.93 3.29 33.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.466 -0.771 . . . . 0.0 109.478 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.736 ' C ' HD12 ' A' ' 44' ' ' LEU . 88.4 m-85 -69.13 -40.0 78.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.224 -0.923 . . . . 0.0 109.485 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' HE1' ' X' ' 7' ' ' TRP . 8.6 mp -129.05 -98.79 0.35 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.413 -0.804 . . . . 0.0 109.36 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -91.28 133.07 35.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.55 -0.719 . . . . 0.0 109.734 -179.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 86.6 tt0 -92.54 119.67 32.24 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.18 118.48 44.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 CA-C-O 122.064 0.935 . . . . 0.0 110.256 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.518 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -136.51 -9.79 1.9 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -124.31 151.99 43.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.701 . . . . 0.0 110.001 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASP . 18.0 pt20 -72.78 -18.83 61.45 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 110.754 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 16.1 t -68.25 -49.15 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.5 t -61.66 -41.47 90.49 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.265 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' GLN . 91.4 m-20 -70.0 -42.26 73.27 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 118.819 -1.152 . . . . 0.0 109.062 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -68.52 -39.23 81.29 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.05 -34.2 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' N ' ' A' ' 61' ' ' ASP . 60.2 mmm -72.15 -40.01 68.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 109.199 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.01 -27.26 66.73 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' HD12 ' A' ' 60' ' ' LEU . 9.9 m -69.95 -38.89 76.28 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD11 ' SD ' ' A' ' 79' ' ' MET . 10.2 mp -105.31 -54.79 2.43 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.106 -0.996 . . . . 0.0 108.589 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 57' ' ' MET . 60.5 t0 -70.04 55.58 0.14 Allowed 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' LEU . 99.2 mt-10 -67.24 2.14 1.77 Allowed 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 61' ' ' ASP . 95.0 m-20 -79.78 -31.7 40.86 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.99 10.23 84.23 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.346 -2.302 . . . . 0.0 107.346 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.9 p-10 -83.57 0.27 47.37 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.76 32.56 78.2 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 43.8 mt-10 -143.99 155.61 44.09 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.362 -1.081 . . . . 0.0 110.78 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.7 122.52 29.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.11 169.88 12.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.885 -1.134 . . . . 0.0 110.217 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.635 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 4.6 m-85 -48.16 -48.56 34.27 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.517 -0.74 . . . . 0.0 109.462 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.97 -40.98 90.95 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.37 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 60' ' ' LEU . 47.5 mt-10 -66.07 -41.33 90.87 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.695 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 1.7 t80 -63.67 -39.37 94.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.719 -1.238 . . . . 0.0 107.687 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.1 mmm -60.05 -38.48 82.93 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.71 71.72 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.954 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 80' ' ' VAL . 64.9 t80 -59.99 -43.34 95.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.033 -1.042 . . . . 0.0 109.36 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 0.7 OUTLIER -59.98 -41.1 85.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -60.05 -40.43 89.38 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.718 -0.614 . . . . 0.0 109.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 60' ' ' LEU . 41.3 mtp -66.44 -44.6 82.42 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.699 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 76' ' ' PHE . 1.7 t -80.67 -30.05 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 118.833 -1.147 . . . . 0.0 109.08 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 94.2 m -65.69 -40.0 91.84 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 p -69.99 -39.96 75.59 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' X' ' 5' ' ' ILE . . . -68.83 -40.8 79.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.427 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.67 -40.0 76.66 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.334 -0.854 . . . . 0.0 108.878 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.98 -40.5 89.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.407 -0.808 . . . . 0.0 109.882 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.78 -40.01 90.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.968 -1.082 . . . . 0.0 110.002 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.12 107.34 2.27 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.966 -1.084 . . . . 0.0 109.015 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -170.57 146.26 2.7 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.468 -0.77 . . . . 0.0 108.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -98.78 108.76 21.53 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.304 -0.873 . . . . 0.0 109.372 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -64.23 -39.98 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.426 -0.796 . . . . 0.0 109.654 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.454 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.421 0.629 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -68.69 -31.31 70.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.325 -0.86 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.71 -24.7 36.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.038 -1.039 . . . . 0.0 110.941 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CZ ' ' A' ' 43' ' ' PHE . 98.9 mt-10 -59.98 -47.93 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.749 -1.219 . . . . 0.0 110.862 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' B' ' 6' ' ' ALA . 11.3 pttp -68.56 -41.59 79.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.584 -1.322 . . . . 0.0 109.123 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' B' ' 5' ' ' LYS . . . -70.37 -42.02 72.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.891 -0.506 . . . . 0.0 111.158 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -60.04 -41.41 92.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.729 -1.232 . . . . 0.0 108.375 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 4' ' ' GLU . 74.6 t -63.72 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.65 93.46 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.843 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.18 -40.02 88.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.961 -1.087 . . . . 0.0 108.672 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.11 -39.97 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.87 . . . . 0.0 109.109 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -70.0 -40.57 75.19 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.853 -1.154 . . . . 0.0 109.161 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.584 HG13 ' OE2' ' B' ' 39' ' ' GLU . 41.2 t -59.97 -39.51 80.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -49.16 -57.77 6.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.553 -0.717 . . . . 0.0 110.143 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -74.55 -22.77 58.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.182 -0.949 . . . . 0.0 111.441 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -55.4 -40.45 71.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.92 . . . . 0.0 111.128 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -119.65 -24.32 6.26 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.077 -1.014 . . . . 0.0 110.732 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 56.8 m -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.838 -1.164 . . . . 0.0 110.331 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 1.78 37.14 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 20' ' ' ARG . 36.5 ttt-85 -60.01 -46.78 88.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.236 -1.155 . . . . 0.0 109.701 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -167.21 172.04 10.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.397 -0.814 . . . . 0.0 108.889 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.05 -160.6 27.35 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.907 -1.121 . . . . 0.0 110.636 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 94.9 m-20 -90.37 0.99 57.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.63 -0.924 . . . . 0.0 110.525 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 4.2 tmtt? 80.27 -47.13 0.31 Allowed 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.634 0.731 . . . . 0.0 109.325 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -72.45 -17.38 61.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.592 -0.692 . . . . 0.0 110.241 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -128.59 152.66 48.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.346 -0.846 . . . . 0.0 109.8 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -112.24 120.1 40.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.685 -0.635 . . . . 0.0 109.452 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -86.14 150.99 24.03 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.26 -0.9 . . . . 0.0 108.664 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -45.48 -39.88 7.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.132 -0.98 . . . . 0.0 109.523 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.6 m -60.02 -40.0 87.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.075 -1.015 . . . . 0.0 109.183 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.06 -39.96 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 109.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.12 -39.94 91.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -54.78 -39.96 68.95 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 108.626 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -68.95 -40.02 79.17 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.274 -0.97 . . . . 0.0 108.541 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.79 -50.05 75.38 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.28 -0.888 . . . . 0.0 109.57 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -68.78 -45.5 80.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 110.4 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 3.0 t-20 -74.33 -23.18 59.01 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.276 -1.515 . . . . 0.0 110.952 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.587 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.3 OUTLIER -86.77 -32.91 20.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.632 -1.293 . . . . 0.0 110.577 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.584 ' OE2' HG13 ' B' ' 13' ' ' VAL . 99.8 mt-10 -105.81 -28.16 10.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.755 -1.216 . . . . 0.0 109.648 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.543 HD22 HD13 ' B' ' 44' ' ' LEU . 27.4 mt -116.62 35.82 4.41 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 77.2 p -44.15 -91.81 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.273 -0.892 . . . . 0.0 110.213 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.433 ' N ' ' OG ' ' B' ' 41' ' ' SER . 95.4 m-70 -104.0 3.21 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.432 -0.793 . . . . 0.0 109.435 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.727 ' C ' HD12 ' B' ' 44' ' ' LEU . 89.3 m-85 -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 109.497 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.792 HD23 ' HE1' ' Y' ' 7' ' ' TRP . 8.4 mp -129.01 -98.78 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' B' ' 46' ' ' GLU . 0.8 OUTLIER -91.22 132.91 35.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.56 -0.712 . . . . 0.0 109.772 -179.015 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -92.33 119.66 32.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.26 118.48 44.85 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 122.046 0.927 . . . . 0.0 110.187 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.493 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -136.38 -9.8 1.94 Allowed 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.503 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -124.32 152.01 43.61 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.548 -0.72 . . . . 0.0 109.959 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' B' ' 54' ' ' ASP . 18.0 pt20 -72.8 -18.77 61.44 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -60.02 -39.95 87.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.726 -0.609 . . . . 0.0 110.68 -177.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' B' ' 51' ' ' GLU . 16.2 t -68.55 -48.81 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.04 -41.42 91.02 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.232 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 91.4 m-20 -70.02 -42.34 73.1 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.979 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -68.37 -39.3 81.82 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.98 -34.31 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.584 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.3 mmm -71.99 -40.08 68.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.17 -0.956 . . . . 0.0 109.211 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.02 -27.25 66.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.47 -1.394 . . . . 0.0 107.253 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.436 ' C ' HD12 ' B' ' 60' ' ' LEU . 10.0 m -70.04 -38.77 75.93 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.965 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.587 HD11 ' SD ' ' B' ' 79' ' ' MET . 10.1 mp -105.43 -54.84 2.42 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.164 -0.96 . . . . 0.0 108.593 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 57' ' ' MET . 59.9 t0 -70.06 55.69 0.14 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' B' ' 60' ' ' LEU . 99.0 mt-10 -67.46 2.46 1.74 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' ASP . 95.7 m-20 -79.85 -31.7 40.5 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.8 10.25 84.41 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.1 p-10 -83.5 0.26 47.2 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 67.72 32.6 78.45 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.517 -1.833 . . . . 0.0 108.517 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.554 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 43.6 mt-10 -143.94 155.6 44.11 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.329 -1.101 . . . . 0.0 110.77 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 t -129.52 122.42 29.2 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.15 169.31 12.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.85 -1.156 . . . . 0.0 110.26 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 4.6 m-85 -47.57 -48.7 27.85 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.571 -0.705 . . . . 0.0 109.518 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.553 ' CD ' ' H ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -60.01 -40.72 90.22 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.373 -179.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 60' ' ' LEU . 47.3 mt-10 -66.37 -41.31 89.61 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.576 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 1.6 t80 -63.52 -39.43 94.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.721 -1.237 . . . . 0.0 107.755 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 92.5 mmm -60.07 -38.64 83.45 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.86 71.89 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.0 -1.063 . . . . 0.0 110.006 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' B' ' 80' ' ' VAL . 64.9 t80 -60.06 -43.03 95.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.357 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' B' ' 81' ' ' THR . 0.7 OUTLIER -60.0 -41.48 86.35 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.9 t -60.13 -40.2 88.94 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.754 -0.592 . . . . 0.0 109.899 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.587 ' SD ' HD11 ' B' ' 60' ' ' LEU . 37.8 mtp -66.66 -44.26 82.31 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.675 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' B' ' 76' ' ' PHE . 1.8 t -80.87 -29.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.875 -1.141 . . . . 0.0 109.145 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 94.2 m -65.65 -40.04 92.04 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 p -69.93 -40.0 75.77 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' Y' ' 5' ' ' ILE . . . -69.07 -40.31 78.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 50.6 t -69.97 -39.99 75.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.0 108.872 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -60.07 -40.27 88.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.451 -0.78 . . . . 0.0 109.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.87 -40.05 91.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.98 -1.075 . . . . 0.0 109.997 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -67.16 107.34 2.29 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 119.099 -1.04 . . . . 0.0 109.071 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -170.49 146.02 2.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.48 108.88 21.68 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.28 -0.888 . . . . 0.0 109.413 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -64.3 -39.95 94.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.485 -0.759 . . . . 0.0 109.689 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.438 179.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.405 ' N ' ' OG1' ' X' ' 1' ' ' THR . 98.1 mtt180 -60.13 -40.02 88.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 110.103 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -59.98 140.5 56.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.632 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -102.25 170.28 8.18 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.495 -0.753 . . . . 0.0 110.136 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.498 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pp -60.04 -45.26 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.45 -0.781 . . . . 0.0 109.442 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' X' ' 5' ' ' ILE . 2.3 m-20 162.47 38.96 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.84 ' HE1' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.93 -24.48 64.39 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.441 -0.787 . . . . 0.0 109.156 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -56.82 -39.95 75.15 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.923 -1.111 . . . . 0.0 108.328 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -61.11 -39.51 90.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' X' ' 7' ' ' TRP . 58.1 mt -59.97 -40.06 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.566 -0.709 . . . . 0.0 110.043 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.51 -39.58 84.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 108.406 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.6 -179.815 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.415 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 98.6 mtt180 -60.05 -40.04 88.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.0 109.999 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.406 ' H ' HG22 ' Y' ' 3' ' ' THR . 1.5 t -59.97 140.34 56.81 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.055 -1.028 . . . . 0.0 109.531 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -102.19 170.46 8.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.21 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.565 HD12 ' N ' ' Y' ' 6' ' ' ASP . 1.8 pp -59.92 -46.02 94.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.573 -0.704 . . . . 0.0 109.412 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.565 ' N ' HD12 ' Y' ' 5' ' ' ILE . 2.2 m-20 163.31 39.13 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.792 ' HE1' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -59.97 -24.45 64.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.527 -0.733 . . . . 0.0 109.164 -179.746 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.91 -40.05 75.58 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.902 -1.124 . . . . 0.0 108.339 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -61.19 -39.32 89.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.505 -0.747 . . . . 0.0 109.306 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.443 HD12 ' CG ' ' Y' ' 7' ' ' TRP . 59.2 mt -60.0 -40.0 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.614 -0.679 . . . . 0.0 110.118 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.85 -38.85 83.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.694 -1.253 . . . . 0.0 108.408 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.566 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.02 -40.01 87.82 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.327 -0.858 . . . . 0.0 108.931 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 tp -50.93 -19.46 1.02 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.934 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 8' ' ' VAL . 85.4 tt0 -59.98 -50.82 72.24 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.785 -1.197 . . . . 0.0 110.086 -178.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -71.1 -39.99 71.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.961 -1.087 . . . . 0.0 109.458 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.76 96.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.391 -0.818 . . . . 0.0 110.149 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.0 tpp -59.98 -44.65 94.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.043 . . . . 0.0 109.737 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 4' ' ' GLU . 92.8 t -60.18 -40.05 82.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.495 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.05 -41.4 92.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.933 -1.105 . . . . 0.0 109.679 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.79 -41.37 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.892 -1.13 . . . . 0.0 108.758 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -68.5 -39.52 81.23 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.157 -0.964 . . . . 0.0 109.141 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.93 -39.92 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -47.78 -54.21 13.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.381 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.65 -22.87 46.21 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.251 -0.906 . . . . 0.0 111.701 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 HE21 HH22 ' A' ' 20' ' ' ARG . 68.8 tp60 -59.99 -46.21 90.2 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 111.395 -177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' OH ' ' CD2' ' A' ' 73' ' ' PHE . 38.4 p90 -102.39 -33.48 9.54 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.904 -1.123 . . . . 0.0 110.475 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.7 p -62.71 -39.09 92.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.046 -1.034 . . . . 0.0 111.283 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.65 1.85 65.54 Favored Glycine 0 N--CA 1.494 2.533 0 C-N-CA 119.915 -1.136 . . . . 0.0 111.315 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.441 HH22 HE21 ' A' ' 16' ' ' GLN . 50.2 mtt-85 -69.74 -39.98 76.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.608 -1.525 . . . . 0.0 110.782 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -161.73 158.28 25.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.734 -1.229 . . . . 0.0 110.086 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.18 -164.65 51.42 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.31 140.58 31.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.479 -1.013 . . . . 0.0 109.77 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -68.36 -26.24 65.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.428 -0.795 . . . . 0.0 110.048 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.13 -35.6 69.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.369 -0.832 . . . . 0.0 110.842 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -124.54 160.17 28.96 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.171 -0.956 . . . . 0.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -118.95 122.62 42.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.81 -0.556 . . . . 0.0 110.86 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 31' ' ' GLU . 79.4 tttt -86.9 148.21 25.45 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 14.8 ptpt -42.21 -34.85 0.82 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.192 -0.943 . . . . 0.0 110.046 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.9 p -62.37 -40.03 95.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.921 -1.112 . . . . 0.0 108.913 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' LYS . 49.9 mt-10 -69.24 -40.02 78.13 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -52.0 -39.94 60.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 68.1 mm-40 -71.02 -40.33 71.82 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.707 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.03 -50.04 75.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.98 -1.075 . . . . 0.0 110.571 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.12 -41.5 79.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.903 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -84.84 -22.39 29.45 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.183 -1.573 . . . . 0.0 111.079 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.53 HD22 ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -86.81 -42.59 13.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.559 -1.338 . . . . 0.0 110.436 -178.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -83.68 -37.09 23.2 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.719 -1.238 . . . . 0.0 108.622 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 45' ' ' GLU . 19.4 mt -119.57 73.73 0.97 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 45' ' ' GLU . 61.8 m -65.85 -74.68 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 109.694 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -129.57 -14.04 4.2 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.361 -0.837 . . . . 0.0 109.351 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.03 -40.81 90.61 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 110.603 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.11 -50.01 1.93 Allowed 'General case' 0 N--CA 1.509 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 110.138 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 41' ' ' SER . 85.2 mt-10 -130.3 132.43 45.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.378 -0.826 . . . . 0.0 111.584 -177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -115.62 117.45 30.34 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.14 133.79 33.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.413 1.101 . . . . 0.0 108.721 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -137.2 -25.04 1.07 Allowed 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -179.128 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.54 143.92 49.89 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.633 0.73 . . . . 0.0 110.445 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.51 -17.98 63.64 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 14.9 pt-20 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.678 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.3 t -60.83 -51.6 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.76 -45.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.287 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.73 -39.97 84.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.874 -1.141 . . . . 0.0 109.348 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -67.8 -38.7 83.65 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' VAL . 50.5 t -66.69 -38.01 80.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 61' ' ' ASP . 65.3 mmm -70.68 -42.3 70.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.293 -0.879 . . . . 0.0 109.074 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.37 -30.49 69.59 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.52 -1.362 . . . . 0.0 107.854 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -69.95 -40.02 75.7 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.988 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' GLU . 64.5 mt -106.22 -52.26 2.83 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.226 -0.921 . . . . 0.0 109.859 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 57' ' ' MET . 49.3 t0 -72.04 54.29 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' LEU . 98.9 mt-10 -67.58 5.19 0.85 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.584 0.707 . . . . 0.0 109.375 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.5 m-20 -80.67 -28.79 36.7 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.06 8.53 87.55 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 107.764 -2.134 . . . . 0.0 107.764 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 43.8 p-10 -85.72 2.75 44.17 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' CA ' ' OD2' ' A' ' 61' ' ' ASP . . . 67.19 33.16 82.1 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 99.9 mt-10 -143.9 153.81 42.69 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.275 -1.132 . . . . 0.0 110.719 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 73' ' ' PHE . 9.0 t -130.36 123.54 30.17 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.575 -0.703 . . . . 0.0 109.127 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.84 171.13 9.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.087 -1.008 . . . . 0.0 109.652 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 3.8 m-85 -48.31 -49.85 32.4 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.572 -0.705 . . . . 0.0 109.501 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.98 -43.61 95.02 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.01 -39.99 75.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CD2' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -64.12 -36.82 85.29 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.419 ' CE ' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -58.44 -33.81 70.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.444 -0.785 . . . . 0.0 108.937 -178.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -69.25 -27.47 65.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.971 -1.081 . . . . 0.0 109.475 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.01 -39.97 87.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.059 -1.026 . . . . 0.0 109.239 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -68.22 -40.05 82.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 O-C-N 121.125 -0.984 . . . . 0.0 108.754 -179.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -65.16 -42.76 93.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.597 -0.689 . . . . 0.0 111.321 -178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.8 ptm -69.93 -40.48 75.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.498 -1.376 . . . . 0.0 109.55 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.21 -39.59 77.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 C-N-CA 119.264 -0.974 . . . . 0.0 108.664 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.444 HG21 ' CE ' ' B' ' 74' ' ' MET . 93.1 m -67.83 -39.97 83.82 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.6 m -68.79 -40.01 79.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.58 -0.7 . . . . 0.0 109.167 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.03 78.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 111.013 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 85' ' ' HIS . 23.2 p -65.69 -42.28 91.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.884 -1.135 . . . . 0.0 109.563 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 51.5 t-80 -60.35 -39.96 89.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.296 -0.878 . . . . 0.0 110.095 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.6 -39.99 86.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -68.06 101.99 1.23 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 109.214 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 67.9 t80 -130.82 -5.98 4.03 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.326 -0.859 . . . . 0.0 109.689 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -91.32 113.26 25.48 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 109.188 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -60.01 -39.96 87.61 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.776 -0.578 . . . . 0.0 109.485 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.519 179.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.386 0.612 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.97 -40.01 87.63 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.35 -0.844 . . . . 0.0 108.952 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tp -51.18 -19.27 1.12 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.013 . . . . 0.0 109.871 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.484 ' O ' HG23 ' B' ' 8' ' ' VAL . 84.0 tt0 -60.07 -50.76 72.43 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.763 -1.21 . . . . 0.0 110.12 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -71.04 -39.99 71.98 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.932 -1.105 . . . . 0.0 109.526 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.6 95.7 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.415 -0.803 . . . . 0.0 110.234 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 53.3 tpp -59.97 -44.49 94.42 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.951 -1.093 . . . . 0.0 109.676 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 4' ' ' GLU . 88.6 t -60.29 -40.03 82.6 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.61 92.35 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.31 -41.83 94.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.968 -1.082 . . . . 0.0 109.607 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.37 -41.56 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.992 -1.068 . . . . 0.0 108.723 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -68.49 -39.57 81.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.134 -0.979 . . . . 0.0 109.141 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.81 -39.99 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.648 ' CZ ' ' CD2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -47.65 -54.37 12.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.315 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.44 -22.87 47.0 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.329 -0.857 . . . . 0.0 111.864 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.463 HE21 HH22 ' B' ' 20' ' ' ARG . 68.5 tp60 -60.04 -46.19 90.33 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 111.435 -177.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.543 ' OH ' ' CD2' ' B' ' 73' ' ' PHE . 39.1 p90 -102.42 -33.72 9.44 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.889 -1.132 . . . . 0.0 110.491 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 55.0 p -62.28 -39.3 92.46 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.029 -1.045 . . . . 0.0 111.19 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 1.04 65.01 Favored Glycine 0 N--CA 1.494 2.518 0 O-C-N 120.962 -1.086 . . . . 0.0 111.453 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.463 HH22 HE21 ' B' ' 16' ' ' GLN . 50.1 mtt-85 -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.627 -1.513 . . . . 0.0 110.871 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -161.54 158.32 26.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.686 -1.259 . . . . 0.0 110.091 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.01 -164.55 51.58 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -84.29 140.71 31.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.55 -0.97 . . . . 0.0 109.714 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -68.48 -26.18 65.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.409 -0.807 . . . . 0.0 110.028 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -72.18 -35.58 69.03 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 110.848 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -124.56 160.38 28.51 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -119.26 122.75 42.62 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.878 -0.514 . . . . 0.0 110.778 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' GLU . 80.0 tttt -87.11 148.26 25.3 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 28' ' ' LYS . 14.7 ptpt -42.09 -34.87 0.79 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.258 -0.901 . . . . 0.0 110.037 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.6 p -62.33 -40.2 95.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.999 -1.063 . . . . 0.0 108.894 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 28' ' ' LYS . 49.6 mt-10 -69.28 -40.03 78.01 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.12 -37.68 83.63 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -52.25 -39.99 61.09 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 68.4 mm-40 -70.85 -40.58 72.27 Favored 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.615 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.955 -1.09 . . . . 0.0 110.634 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -70.0 -41.52 79.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.872 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.81 -22.44 29.51 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.202 -1.561 . . . . 0.0 111.105 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.53 ' C ' HD22 ' B' ' 38' ' ' ASN . 0.4 OUTLIER -86.77 -42.6 13.19 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.541 -1.35 . . . . 0.0 110.449 -178.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -83.62 -37.21 23.18 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.636 -1.29 . . . . 0.0 108.636 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' GLU . 19.3 mt -119.5 73.69 0.97 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 45' ' ' GLU . 39.8 m -66.35 -74.09 0.12 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.931 -1.106 . . . . 0.0 109.672 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -129.3 -14.35 4.29 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.01 -40.96 91.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.391 -0.818 . . . . 0.0 110.623 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -123.03 -50.07 1.94 Allowed 'General case' 0 N--CA 1.509 2.487 0 O-C-N 121.122 -0.986 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 41' ' ' SER . 85.2 mt-10 -130.36 132.69 45.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.297 -0.877 . . . . 0.0 111.463 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -115.96 117.25 29.62 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.84 133.96 33.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-O 122.428 1.108 . . . . 0.0 108.83 -178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.602 ' H ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -137.31 -25.09 1.06 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.11 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -123.5 143.99 49.82 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.646 0.736 . . . . 0.0 110.366 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -69.79 -17.88 63.44 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.94 -40.14 87.94 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.704 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 56' ' ' VAL . 3.1 t -60.8 -51.73 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.68 -45.69 97.12 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.321 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -67.68 -39.95 84.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 0.0 109.324 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -67.79 -38.86 83.91 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.0 t -66.41 -38.26 81.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.604 ' O ' ' N ' ' B' ' 61' ' ' ASP . 62.7 mmm -70.56 -42.42 71.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 109.114 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -60.35 -30.38 69.51 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.472 -1.392 . . . . 0.0 107.846 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -70.03 -39.98 75.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.986 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' B' ' 75' ' ' ALA . 67.2 mt -106.03 -52.37 2.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.237 -0.914 . . . . 0.0 109.855 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.604 ' N ' ' O ' ' B' ' 57' ' ' MET . 49.7 t0 -72.07 54.19 0.28 Allowed 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 60' ' ' LEU . 98.9 mt-10 -67.57 5.16 0.86 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.603 0.716 . . . . 0.0 109.337 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' B' ' 61' ' ' ASP . 97.6 m-20 -80.53 -28.81 37.26 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.99 8.76 87.38 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 107.727 -2.149 . . . . 0.0 107.727 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 44.0 p-10 -86.14 3.16 43.95 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.467 ' CA ' ' OD2' ' B' ' 61' ' ' ASP . . . 66.64 33.72 85.31 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.596 -1.802 . . . . 0.0 108.596 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.548 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 99.3 mt-10 -144.13 153.75 42.47 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.372 -1.075 . . . . 0.0 110.681 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' B' ' 73' ' ' PHE . 9.6 t -130.4 123.37 29.7 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.55 171.34 9.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.157 -0.965 . . . . 0.0 109.728 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.648 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 3.8 m-85 -48.49 -49.7 34.71 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.564 0.697 . . . . 0.0 109.512 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -60.01 -43.68 95.08 Favored 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.841 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -70.02 -40.0 75.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.97 -1.081 . . . . 0.0 109.02 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' CD2' ' OH ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.06 -36.84 85.32 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 81' ' ' THR . 0.0 OUTLIER -58.49 -33.7 70.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.363 -0.836 . . . . 0.0 108.919 -178.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' B' ' 60' ' ' LEU . . . -69.17 -27.66 65.72 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.992 -1.067 . . . . 0.0 109.468 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.03 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 109.203 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.455 HG23 ' H ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -68.04 -39.93 82.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 O-C-N 121.112 -0.992 . . . . 0.0 108.8 -179.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 73.3 p -65.34 -42.53 92.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 14.3 ptm -70.03 -40.61 75.08 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 118.315 -1.354 . . . . 0.0 109.473 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.2 -39.45 76.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.624 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 74' ' ' MET . 94.4 m -67.92 -40.01 83.46 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.9 m -68.78 -39.99 79.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.627 -0.671 . . . . 0.0 109.35 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.91 78.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.243 -0.911 . . . . 0.0 110.983 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' B' ' 85' ' ' HIS . 21.9 p -65.98 -42.21 90.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.843 -1.16 . . . . 0.0 109.614 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' B' ' 84' ' ' CYS . 51.5 t-80 -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.285 -0.884 . . . . 0.0 110.127 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -39.96 86.8 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -68.07 102.13 1.26 Allowed 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.078 -1.014 . . . . 0.0 109.208 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 64.8 t80 -131.04 -6.0 3.91 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.379 -0.826 . . . . 0.0 109.626 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -91.09 113.37 25.62 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.119 -0.988 . . . . 0.0 109.227 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -59.96 -40.02 87.59 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.38 0.61 . . . . 0.0 109.48 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.464 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.25 79.54 7.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.123 -0.986 . . . . 0.0 108.828 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 76.3 p -77.59 -17.48 57.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.46 -0.775 . . . . 0.0 109.726 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -69.66 148.09 49.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.153 -0.967 . . . . 0.0 109.877 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.468 HG13 ' H ' ' X' ' 5' ' ' ILE . 1.9 pp -96.86 -163.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.603 0.716 . . . . 0.0 109.187 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -98.53 119.64 37.59 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-O 121.814 0.816 . . . . 0.0 110.925 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -39.95 93.52 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.421 0.629 . . . . 0.0 109.378 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.562 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 1.0 OUTLIER -54.5 -38.72 66.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.112 -178.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.562 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 7.2 ttpm? -60.02 -42.31 94.05 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.077 -1.014 . . . . 0.0 109.936 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.02 -40.04 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.079 -1.013 . . . . 0.0 110.506 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 89.1 mt -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.009 -1.057 . . . . 0.0 109.047 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.606 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -81.13 79.36 7.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 108.853 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -77.28 -17.77 58.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.708 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -69.61 148.21 49.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.162 -0.961 . . . . 0.0 109.827 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.421 ' H ' HG13 ' Y' ' 5' ' ' ILE . 1.8 pp -97.24 -162.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -98.72 119.56 37.66 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.833 0.825 . . . . 0.0 111.003 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -40.0 93.46 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.426 0.632 . . . . 0.0 109.416 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.594 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.9 OUTLIER -54.58 -38.52 66.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.19 -178.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.594 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 7.2 ttpm? -60.01 -42.66 94.79 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.094 -1.004 . . . . 0.0 109.922 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.93 -40.03 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.074 -1.016 . . . . 0.0 110.489 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -39.61 86.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.87 -1.144 . . . . 0.0 109.017 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.63 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.508 ' OG ' ' ND2' ' B' ' 38' ' ' ASN . 35.1 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.48 0.657 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -17.83 63.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -50.02 -23.42 2.05 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.94 -1.1 . . . . 0.0 108.733 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -66.23 -52.14 50.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.509 -0.744 . . . . 0.0 110.226 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.77 -29.99 65.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.92 -1.112 . . . . 0.0 110.052 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.36 -39.92 45.75 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.099 -1.0 . . . . 0.0 110.236 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.1 ttm -60.17 -42.22 94.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.739 -1.225 . . . . 0.0 110.279 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 m -60.81 -39.26 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.956 -1.09 . . . . 0.0 108.935 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.31 93.26 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.093 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.36 -41.58 93.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.198 -0.938 . . . . 0.0 108.981 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.08 -45.76 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 108.867 178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -71.32 -40.06 71.02 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.234 -0.917 . . . . 0.0 109.954 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.4 t -59.97 -33.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CG ' ' CE2' ' A' ' 70' ' ' PHE . 89.3 t80 -59.3 -46.45 88.52 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.372 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -79.87 -22.49 42.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 111.147 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -60.1 -44.56 94.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.014 -1.054 . . . . 0.0 110.886 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 42.6 p90 -105.91 -26.89 11.51 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.108 -0.995 . . . . 0.0 110.69 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 t -60.09 -39.04 84.76 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.46 -1.4 . . . . 0.0 109.693 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.49 3.22 6.35 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 20' ' ' ARG . 16.9 ttt-85 -60.36 -40.16 89.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -1.143 . . . . 0.0 109.73 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 22' ' ' GLY . 97.4 mt-10 -134.45 163.61 29.3 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.332 -0.855 . . . . 0.0 109.627 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -54.69 -169.45 0.05 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.3 t0 55.79 50.81 13.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.992 -1.299 . . . . 0.0 109.048 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.39 -25.87 66.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.642 -0.661 . . . . 0.0 110.556 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -70.13 -21.41 63.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.892 -1.13 . . . . 0.0 109.881 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -131.32 158.32 40.98 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.342 -0.849 . . . . 0.0 109.8 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.03 138.95 47.97 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.9 ttmm -103.38 154.13 19.73 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 7.8 mtmp? -41.67 -42.73 2.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.382 -0.824 . . . . 0.0 109.828 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.3 m -60.81 -40.11 91.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.447 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 46.4 mt-10 -68.23 -39.99 82.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.183 -0.948 . . . . 0.0 109.263 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp -65.45 -39.02 91.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.025 . . . . 0.0 108.536 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.64 -39.83 71.37 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -69.28 -40.19 77.9 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.34 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 17.9 tp -59.98 -49.95 75.65 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.647 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.11 -41.4 84.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 O-C-N 120.933 -1.104 . . . . 0.0 110.286 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.67 -24.58 45.05 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.822 -1.174 . . . . 0.0 110.982 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -88.05 -21.77 24.57 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.863 -1.148 . . . . 0.0 110.795 -178.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 21.6 mp0 -109.0 -32.3 7.3 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.925 -1.109 . . . . 0.0 109.409 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' GLU . 22.3 mt -113.43 45.24 1.43 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.449 -0.782 . . . . 0.0 108.963 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -59.92 -53.71 54.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 109.948 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -130.33 -8.3 4.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.502 -0.749 . . . . 0.0 109.462 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -62.48 -44.91 95.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.1 -1.0 . . . . 0.0 109.254 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.09 -99.59 0.33 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.568 -0.708 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' CG ' ' NE1' ' X' ' 7' ' ' TRP . 0.6 OUTLIER -97.42 141.61 30.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.112 -0.992 . . . . 0.0 111.113 -179.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' A' ' 45' ' ' GLU . 86.2 tt0 -100.81 119.03 38.05 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.496 HG21 HG23 ' A' ' 53' ' ' VAL . 21.9 mm -90.17 109.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-O 122.026 0.917 . . . . 0.0 110.97 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -122.33 -14.4 7.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.808 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 80.4 tt0 -124.03 137.47 54.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.631 -0.668 . . . . 0.0 109.979 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -61.63 -25.31 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.397 -0.814 . . . . 0.0 110.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' H ' ' HG2' ' A' ' 49' ' ' GLU . 15.8 pt-20 -52.45 -42.07 63.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -0.826 . . . . 0.0 109.783 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 56' ' ' VAL . 1.9 t -64.95 -49.84 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.496 HG23 HG21 ' A' ' 47' ' ' ILE . 2.4 t -61.2 -48.28 89.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.363 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -60.85 -43.74 97.93 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.171 -0.956 . . . . 0.0 109.513 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -70.03 -36.19 74.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.809 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.6 t -72.65 -31.31 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -70.25 -40.03 74.68 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.546 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -68.99 -39.47 79.35 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.748 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.95 -52.68 3.0 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.253 -0.904 . . . . 0.0 109.285 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' MET . 36.1 t0 -79.91 57.16 2.52 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -68.42 1.31 3.12 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 61' ' ' ASP . 85.1 m-20 -76.43 -34.22 58.79 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.36 10.87 70.15 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 48.4 p-10 -84.47 3.15 37.66 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 61.12 33.95 86.12 Favored Glycine 0 N--CA 1.483 1.804 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 98.3 mt-10 -145.68 159.64 42.86 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.362 -1.081 . . . . 0.0 110.608 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.01 127.72 36.82 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -89.17 170.74 10.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' CG ' ' A' ' 14' ' ' PHE . 3.1 t80 -49.57 -48.26 48.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.333 -0.854 . . . . 0.0 109.294 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -60.2 -39.98 88.44 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 110.09 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -68.35 -39.3 81.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.059 -1.025 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.98 -40.76 90.23 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 108.86 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.7 mmm -60.87 -38.82 86.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.09 -29.43 70.3 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.177 -0.952 . . . . 0.0 110.396 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -59.68 -40.21 87.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.633 -1.292 . . . . 0.0 108.061 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -66.24 -40.17 86.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 107.661 -1.236 . . . . 0.0 107.661 178.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.7 t -62.57 -46.63 87.45 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.669 -178.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -69.58 -40.09 76.94 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.292 -1.363 . . . . 0.0 110.019 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.64 -34.86 29.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.02 -1.05 . . . . 0.0 108.239 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 77' ' ' VAL . 51.6 m -69.26 -39.82 78.19 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 78' ' ' SER . 92.6 m -66.66 -40.05 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' X' ' 5' ' ' ILE . . . -60.33 -45.04 94.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.065 -1.022 . . . . 0.0 109.067 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 33.6 t -62.1 -47.42 84.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.842 . . . . 0.0 108.962 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.15 -39.89 87.95 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.448 -0.782 . . . . 0.0 108.925 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 86.2 tt0 -60.19 -40.03 88.6 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -61.98 107.6 0.89 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.389 -0.819 . . . . 0.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' CD2' ' O ' ' A' ' 86' ' ' GLU . 87.7 m-85 -89.65 120.04 30.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.12 107.36 7.14 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.389 -0.819 . . . . 0.0 109.074 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -60.67 -40.36 91.8 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.489 0.661 . . . . 0.0 109.841 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.92 -178.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.516 ' OG ' ' ND2' ' A' ' 38' ' ' ASN . 42.6 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.426 0.631 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.2 -17.92 64.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.66 -23.38 1.7 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.064 -1.023 . . . . 0.0 108.767 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -66.64 -51.91 50.88 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -71.74 -30.01 65.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.965 -1.085 . . . . 0.0 109.992 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.3 -40.02 45.83 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 110.379 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 40.4 ttm -59.91 -42.55 94.15 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.888 -1.132 . . . . 0.0 110.244 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -60.88 -39.32 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.138 -0.977 . . . . 0.0 108.936 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.86 93.11 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.9 -41.24 91.74 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.218 -0.926 . . . . 0.0 108.766 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.21 -45.77 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 108.75 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.06 -40.34 71.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 0.0 110.053 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -60.13 -32.81 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.455 ' CG ' ' CE2' ' B' ' 70' ' ' PHE . 88.7 t80 -58.7 -47.18 85.44 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.272 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -79.57 -22.73 43.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 111.273 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.88 -44.53 94.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.96 -1.088 . . . . 0.0 110.965 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CZ ' HD22 ' B' ' 35' ' ' LEU . 41.5 p90 -105.82 -26.87 11.57 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.079 -1.013 . . . . 0.0 110.809 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -60.21 -38.97 84.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.408 -1.432 . . . . 0.0 109.801 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.61 2.88 6.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 20' ' ' ARG . 17.4 ttt-85 -60.21 -39.86 88.08 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.359 -1.083 . . . . 0.0 109.672 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 22' ' ' GLY . 96.6 mt-10 -134.26 163.28 29.99 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.384 -0.823 . . . . 0.0 109.518 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.05 -169.11 0.05 OUTLIER Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 46.3 t0 56.11 50.47 13.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -1.227 . . . . 0.0 108.942 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.08 -26.35 66.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.608 -0.683 . . . . 0.0 110.619 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -69.96 -21.12 63.28 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.921 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.25 158.11 41.46 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.3 -0.875 . . . . 0.0 109.755 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 81.7 mt -111.9 139.06 47.7 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.6 ttmm -103.39 154.12 19.75 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 7.8 mtmp? -41.89 -43.21 2.97 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.385 -0.822 . . . . 0.0 109.609 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -60.45 -40.09 89.89 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.011 . . . . 0.0 109.693 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 28' ' ' LYS . 46.9 mt-10 -68.12 -39.87 82.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.047 -1.033 . . . . 0.0 109.337 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.8 -39.71 94.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.186 -0.946 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -55.58 -39.92 71.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 38' ' ' ASN . 50.1 tp10 -68.95 -40.72 78.77 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.526 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.518 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 16.0 tp -59.91 -50.03 75.39 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.83 -41.36 84.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 O-C-N 120.771 -1.206 . . . . 0.0 110.408 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -78.74 -24.62 44.71 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.0 110.929 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' B' ' 38' ' ' ASN . 0.5 OUTLIER -87.94 -21.68 24.76 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.797 -1.189 . . . . 0.0 110.939 -178.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 22.8 mp0 -109.39 -31.78 7.41 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.929 -1.107 . . . . 0.0 109.383 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' B' ' 45' ' ' GLU . 22.5 mt -113.68 44.85 1.53 Allowed 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 44.2 t -59.97 -53.67 55.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.915 -1.115 . . . . 0.0 109.973 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -130.23 -8.23 4.28 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.411 -0.806 . . . . 0.0 109.425 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -62.6 -44.73 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.085 -1.009 . . . . 0.0 109.393 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.1 -99.64 0.33 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.518 -0.739 . . . . 0.0 109.117 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' NE1' ' Y' ' 7' ' ' TRP . 0.7 OUTLIER -97.75 142.55 29.39 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.08 -1.012 . . . . 0.0 110.982 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' OE1' ' B' ' 45' ' ' GLU . 86.2 tt0 -101.25 119.37 38.65 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 53' ' ' VAL . 22.1 mm -90.22 110.04 21.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.995 0.902 . . . . 0.0 110.852 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -122.47 -14.1 7.88 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 178.699 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 51' ' ' GLU . 79.7 tt0 -123.88 137.83 54.58 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.613 -0.68 . . . . 0.0 109.915 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -62.26 -25.21 67.71 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.355 -0.84 . . . . 0.0 110.065 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.533 ' H ' ' HG2' ' B' ' 49' ' ' GLU . 15.6 pt-20 -52.37 -42.5 64.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.852 . . . . 0.0 109.651 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' ' 56' ' ' VAL . 1.6 t -64.56 -49.75 79.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG23 HG21 ' B' ' 47' ' ' ILE . 2.3 t -61.39 -48.13 90.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -60.72 -44.39 96.69 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.323 -0.86 . . . . 0.0 109.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -69.77 -35.73 75.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.244 -0.91 . . . . 0.0 109.09 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 52' ' ' VAL . 55.4 t -73.26 -31.08 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.574 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.2 OUTLIER -70.26 -40.2 74.52 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.459 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.03 -31.74 70.25 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -39.31 78.31 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.591 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -102.79 -52.93 2.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 109.162 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.2 t0 -79.78 57.08 2.44 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -68.2 1.08 3.09 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 61' ' ' ASP . 85.2 m-20 -76.24 -34.61 59.19 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.44 11.09 69.54 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 49.0 p-10 -84.5 3.23 37.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 61.06 33.81 85.5 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.536 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 98.3 mt-10 -145.58 159.56 42.95 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.369 -1.077 . . . . 0.0 110.834 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -132.0 127.7 36.81 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -89.25 170.72 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.451 -0.781 . . . . 0.0 109.508 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.455 ' CE2' ' CG ' ' B' ' 14' ' ' PHE . 3.3 t80 -49.6 -48.27 49.02 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.326 -0.859 . . . . 0.0 109.225 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -60.1 -39.8 87.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 110.114 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.79 -38.85 80.28 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.956 -1.09 . . . . 0.0 109.388 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.04 -41.44 92.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 108.526 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.25 -38.91 84.95 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.9 70.85 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.211 -0.93 . . . . 0.0 110.475 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -59.66 -40.04 86.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.799 -1.188 . . . . 0.0 108.086 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' B' ' 81' ' ' THR . 0.8 OUTLIER -66.39 -40.29 86.27 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.048 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -46.93 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.63 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -69.42 -40.0 77.54 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.008 -1.477 . . . . 0.0 110.05 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.55 -34.69 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.935 -1.103 . . . . 0.0 108.342 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' B' ' 77' ' ' VAL . 52.1 m -69.36 -39.91 77.81 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.7 m -66.87 -40.09 87.72 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.467 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' Y' ' 5' ' ' ILE . . . -60.19 -44.92 94.69 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.152 -0.968 . . . . 0.0 109.074 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.04 -47.2 85.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 108.985 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.24 -40.06 88.92 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 86.4 tt0 -60.21 -39.84 88.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -62.28 107.47 0.91 Allowed 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.5 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' B' ' 86' ' ' GLU . 87.8 m-85 -89.3 119.92 30.2 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -74.95 107.4 6.99 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.347 -0.846 . . . . 0.0 109.171 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -60.78 -40.53 92.9 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.423 0.63 . . . . 0.0 109.932 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.014 -0.994 . . . . 0.0 109.969 -179.144 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.455 HH11 ' HG2' ' X' ' 2' ' ' ARG . 47.6 mtt-85 -81.29 -11.02 59.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.034 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 38.2 p -78.24 158.76 28.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -87.55 173.5 9.04 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.444 -0.785 . . . . 0.0 109.637 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' X' ' 7' ' ' TRP . 1.3 pp -60.08 -165.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 122.957 1.361 . . . . 0.0 110.246 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' X' ' 9' ' ' LYS . 6.3 m-20 -62.36 6.53 0.08 Allowed 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.645 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.555 ' H ' ' C ' ' X' ' 5' ' ' ILE . 15.3 t-105 -41.01 -28.82 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.615 -0.678 . . . . 0.0 109.6 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.55 ' ND2' ' N ' ' X' ' 9' ' ' LYS . 0.8 OUTLIER -73.75 -39.06 64.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.47 -0.769 . . . . 0.0 108.962 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.55 ' N ' ' ND2' ' X' ' 8' ' ' ASN . 62.7 tttp -59.92 -49.97 75.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 0.0 110.213 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.47 -24.8 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.191 -0.943 . . . . 0.0 109.98 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' X' ' 7' ' ' TRP . 1.7 tp -59.01 -40.17 84.14 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.149 -0.97 . . . . 0.0 109.808 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.729 -179.748 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.447 ' HG2' HH11 ' Y' ' 2' ' ' ARG . 48.5 mtt-85 -81.55 -10.97 59.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 108.986 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 37.4 p -78.25 158.66 28.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.0 109.672 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -87.42 173.37 9.17 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.4 -0.813 . . . . 0.0 109.537 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.582 ' CD1' ' HB1' ' B' ' 83' ' ' ALA . 1.2 pp -60.19 -165.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 CA-C-O 122.814 1.292 . . . . 0.0 110.331 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' Y' ' 9' ' ' LYS . 6.4 m-20 -62.2 6.48 0.08 Allowed 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.738 178.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.553 ' H ' ' C ' ' Y' ' 5' ' ' ILE . 16.3 t-105 -40.76 -29.24 0.09 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.702 -0.624 . . . . 0.0 109.611 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.559 ' ND2' ' N ' ' Y' ' 9' ' ' LYS . 0.8 OUTLIER -73.58 -39.09 64.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.475 -0.766 . . . . 0.0 109.068 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.559 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 63.5 tttp -59.92 -49.84 76.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.75 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -70.25 -24.81 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.167 -0.958 . . . . 0.0 110.149 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' Y' ' 7' ' ' TRP . 1.6 tp -59.32 -39.86 84.45 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.247 -0.908 . . . . 0.0 109.777 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.63 -179.695 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_